 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895307/Gau-29475.inp" -scrdir="/scratch/9895307/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     29479.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer01_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=Water)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=1,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=1,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:15:05 2022, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer01_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.632994000000      1.213805000000     -0.189593000000
  C                                                -1.664207000000      0.165932000000      0.192640000000
  C                                                 0.747477000000      0.789324000000      0.275911000000
  C                                                 1.073835000000     -0.615269000000     -0.234319000000
  O                                                 0.062867000000     -1.519861000000      0.205110000000
  C                                                -1.227523000000     -1.214479000000     -0.302233000000
  O                                                -0.910325000000      2.477331000000      0.403292000000
  H                                                -0.620015000000      1.309979000000     -1.282392000000
  O                                                -2.898906000000      0.560341000000     -0.386978000000
  H                                                -1.743574000000      0.128024000000      1.286763000000
  H                                                 0.760536000000      0.771719000000      1.372075000000
  O                                                 1.748963000000      1.683722000000     -0.206852000000
  C                                                 2.401424000000     -1.143704000000      0.296371000000
  H                                                 1.112049000000     -0.599228000000     -1.331481000000
  O                                                -2.107891000000     -2.218870000000      0.093600000000
  H                                                -1.216487000000     -1.234622000000     -1.397645000000
  H                                                -1.770848000000      2.775332000000      0.083917000000
  H                                                -3.580138000000     -0.065158000000     -0.111255000000
  H                                                 1.526149000000      2.572497000000      0.097811000000
  O                                                 3.514778000000     -0.460590000000     -0.262355000000
  H                                                 2.495071000000     -2.193790000000      0.019521000000
  H                                                 2.401774000000     -1.078340000000      1.391212000000
  H                                                -2.160260000000     -2.225046000000      1.059982000000
  H                                                 3.331786000000      0.488385000000     -0.187701000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Mar 16 19:15:05 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.632994    1.213805   -0.189593
      2          6           0       -1.664207    0.165932    0.192640
      3          6           0        0.747477    0.789324    0.275911
      4          6           0        1.073835   -0.615269   -0.234319
      5          8           0        0.062867   -1.519861    0.205110
      6          6           0       -1.227523   -1.214479   -0.302233
      7          8           0       -0.910325    2.477331    0.403292
      8          1           0       -0.620015    1.309979   -1.282392
      9          8           0       -2.898906    0.560341   -0.386978
     10          1           0       -1.743574    0.128024    1.286763
     11          1           0        0.760536    0.771719    1.372075
     12          8           0        1.748963    1.683722   -0.206852
     13          6           0        2.401424   -1.143704    0.296371
     14          1           0        1.112049   -0.599228   -1.331481
     15          8           0       -2.107891   -2.218870    0.093600
     16          1           0       -1.216487   -1.234622   -1.397645
     17          1           0       -1.770848    2.775332    0.083917
     18          1           0       -3.580138   -0.065158   -0.111255
     19          1           0        1.526149    2.572497    0.097811
     20          8           0        3.514778   -0.460590   -0.262355
     21          1           0        2.495071   -2.193790    0.019521
     22          1           0        2.401774   -1.078340    1.391212
     23          1           0       -2.160260   -2.225046    1.059982
     24          1           0        3.331786    0.488385   -0.187701
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519059   0.000000
     3  C    1.517425   2.492343   0.000000
     4  C    2.502155   2.879139   1.529616   0.000000
     5  O    2.848323   2.413470   2.409572   1.425988   0.000000
     6  C    2.502542   1.530074   2.872299   2.379057   1.419775
     7  O    1.422998   2.440344   2.369367   3.729291   4.118728
     8  H    1.097100   2.138902   2.137621   2.770228   3.269095
     9  O    2.366502   1.419858   3.713215   4.145845   3.667412
    10  H    2.142880   1.097653   2.768479   3.286939   2.673710
    11  H    2.139199   2.763589   1.096383   2.145319   2.664562
    12  O    2.427929   3.756729   1.426878   2.396229   3.643566
    13  C    3.873203   4.272618   2.544122   1.524260   2.370374
    14  H    2.763362   3.258222   2.155156   1.097944   2.075924
    15  O    3.746836   2.427745   4.151577   3.578051   2.283252
    16  H    2.791890   2.165874   3.279375   2.642442   2.070491
    17  H    1.951381   2.613840   3.212950   4.437304   4.671818
    18  H    3.213649   1.953598   4.428125   4.687988   3.935446
    19  H    2.567205   3.997364   1.953908   3.236781   4.347425
    20  O    4.473579   5.236548   3.083824   2.446000   3.640916
    21  H    4.630359   4.785170   3.466813   2.139176   2.530660
    22  H    4.118579   4.417804   2.732904   2.149467   2.659373
    23  H    3.964805   2.591356   4.261001   3.837443   2.484026
    24  H    4.030598   5.020815   2.642755   2.513676   3.856577
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.771981   0.000000
     8  H    2.775368   2.070874   0.000000
     9  O    2.439403   2.872948   2.560677   0.000000
    10  H    2.143252   2.644630   3.043018   2.079206   0.000000
    11  H    3.271188   2.576709   3.040039   4.065767   2.586926
    12  O    4.155495   2.841462   2.628408   4.785093   4.104741
    13  C    3.678667   4.908259   4.200256   5.609299   4.447379
    14  H    2.628970   4.069969   2.578280   4.280706   3.941913
    15  O    1.393030   4.856375   4.069386   2.929279   2.657871
    16  H    1.095653   4.137113   2.616115   2.659675   3.056251
    17  H    4.045109   0.965041   2.310514   2.529910   2.907890
    18  H    2.625302   3.722487   3.467693   0.965064   2.316191
    19  H    4.699354   2.457393   2.846916   4.885172   4.252075
    20  O    4.802016   5.353130   4.612147   6.495627   5.513302
    21  H    3.862678   5.793391   4.865710   6.070047   4.996282
    22  H    4.007254   4.958708   4.688650   5.826186   4.318580
    23  H    1.935684   4.909779   4.511704   3.224542   2.400416
    24  H    4.868281   4.722360   4.182116   6.234293   5.297470
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.074066   0.000000
    13  C    2.741988   2.945043   0.000000
    14  H    3.051602   2.623416   2.146822   0.000000
    15  O    4.336588   5.495072   4.640153   3.875837   0.000000
    16  H    3.950364   4.327657   3.995902   2.414577   1.996787
    17  H    3.475877   3.696651   5.728161   4.658551   5.005571
    18  H    4.662841   5.609549   6.091675   4.877581   2.616859
    19  H    2.335105   0.965602   3.823046   3.503455   6.013606
    20  O    3.431588   2.778355   1.420696   2.633507   5.901920
    21  H    3.692189   3.955126   1.089998   2.506109   4.603626
    22  H    2.473206   3.257139   1.096790   3.050573   4.829253
    23  H    4.196314   5.671451   4.749880   4.366965   0.967820
    24  H    3.020680   1.983564   1.940004   2.723668   6.082635
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.310693   0.000000
    18  H    2.934159   3.373426   0.000000
    19  H    4.924692   3.303260   5.751095   0.000000
    20  O    4.926751   6.207168   7.107533   3.644720   0.000000
    21  H    4.087056   6.549381   6.438660   4.864404   2.030576
    22  H    4.570991   5.828429   6.250377   3.970921   2.086786
    23  H    2.812753   5.109611   2.837775   6.126321   6.088344
    24  H    5.011936   5.598283   6.934475   2.772249   0.969336
                   21         22         23         24
    21  H    0.000000
    22  H    1.770443   0.000000
    23  H    4.770287   4.715591   0.000000
    24  H    2.817285   2.410916   6.251559   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.632994    1.213805   -0.189593
      2          6           0       -1.664207    0.165932    0.192640
      3          6           0        0.747477    0.789324    0.275911
      4          6           0        1.073835   -0.615269   -0.234319
      5          8           0        0.062867   -1.519861    0.205110
      6          6           0       -1.227523   -1.214479   -0.302233
      7          8           0       -0.910325    2.477331    0.403292
      8          1           0       -0.620015    1.309979   -1.282392
      9          8           0       -2.898906    0.560341   -0.386978
     10          1           0       -1.743574    0.128024    1.286763
     11          1           0        0.760536    0.771719    1.372075
     12          8           0        1.748963    1.683722   -0.206852
     13          6           0        2.401424   -1.143704    0.296371
     14          1           0        1.112049   -0.599228   -1.331481
     15          8           0       -2.107891   -2.218870    0.093600
     16          1           0       -1.216487   -1.234622   -1.397645
     17          1           0       -1.770848    2.775332    0.083917
     18          1           0       -3.580138   -0.065158   -0.111255
     19          1           0        1.526149    2.572497    0.097811
     20          8           0        3.514778   -0.460590   -0.262355
     21          1           0        2.495071   -2.193790    0.019521
     22          1           0        2.401774   -1.078340    1.391212
     23          1           0       -2.160260   -2.225046    1.059982
     24          1           0        3.331786    0.488385   -0.187701
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3117231           0.7338256           0.4928837
 Leave Link  202 at Wed Mar 16 19:15:05 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       827.1670932219 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0395987058 Hartrees.
 Nuclear repulsion after empirical dispersion term =      827.1274945161 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   24.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      24
 GePol: Total number of spheres                      =      24
 GePol: Number of exposed spheres                    =      24 (100.00%)
 GePol: Number of points                             =    1678
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.89D-09
 GePol: Maximum weight of points                     =    0.20299
 GePol: Number of points with low weight             =     104
 GePol: Fraction of low-weight points (<1% of avg)   =       6.20%
 GePol: Cavity surface area                          =    225.228 Ang**2
 GePol: Cavity volume                                =    233.174 Ang**3
 Leave Link  301 at Wed Mar 16 19:15:07 2022, MaxMem=  5368709120 cpu:              13.9 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  6.67D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Wed Mar 16 19:15:08 2022, MaxMem=  5368709120 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:15:08 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer01_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:15:08 2022, MaxMem=  5368709120 cpu:               4.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368369012 LenY=  5368202107
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8447052.
 Iteration    1 A*A^-1 deviation from unit magnitude is 5.44D-15 for   1673.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.58D-15 for    392     80.
 Iteration    1 A^-1*A deviation from unit magnitude is 5.44D-15 for   1673.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.02D-15 for   1141    507.
 E= -687.338116662822    
 DIIS: error= 2.30D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -687.338116662822     IErMin= 1 ErrMin= 2.30D-03
 ErrMax= 2.30D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.25D-03 BMatP= 9.25D-03
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.30D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.290 Goal=   None    Shift=    0.000
 GapD=    0.290 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.30D-02 MaxDP=1.23D+00              OVMax= 2.34D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.28D-02    CP:  1.08D+00
 E= -687.347546075269     Delta-E=       -0.009429412447 Rises=F Damp=F
 DIIS: error= 2.67D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.347546075269     IErMin= 2 ErrMin= 2.67D-04
 ErrMax= 2.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-04 BMatP= 9.25D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.67D-03
 Coeff-Com: -0.241D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.241D-02 0.100D+01
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=6.46D-04 MaxDP=6.05D-02 DE=-9.43D-03 OVMax= 3.19D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.86D-04    CP:  1.07D+00  1.02D+00
 E= -687.347408268127     Delta-E=        0.000137807143 Rises=F Damp=F
 DIIS: error= 4.26D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -687.347546075269     IErMin= 2 ErrMin= 2.67D-04
 ErrMax= 4.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.23D-04 BMatP= 1.92D-04
 IDIUse=3 WtCom= 3.26D-01 WtEn= 6.74D-01
 Coeff-Com: -0.155D-01 0.612D+00 0.403D+00
 Coeff-En:   0.000D+00 0.644D+00 0.356D+00
 Coeff:     -0.507D-02 0.634D+00 0.371D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=9.31D-05 MaxDP=7.45D-03 DE= 1.38D-04 OVMax= 2.01D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.27D-05    CP:  1.07D+00  1.03D+00  9.21D-01
 E= -687.347706125202     Delta-E=       -0.000297857076 Rises=F Damp=F
 DIIS: error= 2.27D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.347706125202     IErMin= 4 ErrMin= 2.27D-05
 ErrMax= 2.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-06 BMatP= 1.92D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.346D-02 0.983D-01 0.401D-01 0.865D+00
 Coeff:     -0.346D-02 0.983D-01 0.401D-01 0.865D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=2.71D-05 MaxDP=1.43D-03 DE=-2.98D-04 OVMax= 2.77D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.84D-05    CP:  1.07D+00  1.03D+00  9.46D-01  1.14D+00
 E= -687.347706751951     Delta-E=       -0.000000626749 Rises=F Damp=F
 DIIS: error= 1.76D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.347706751951     IErMin= 5 ErrMin= 1.76D-05
 ErrMax= 1.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.77D-07 BMatP= 1.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.561D-03-0.347D-02-0.144D-01 0.460D+00 0.559D+00
 Coeff:     -0.561D-03-0.347D-02-0.144D-01 0.460D+00 0.559D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=8.07D-06 MaxDP=6.70D-04 DE=-6.27D-07 OVMax= 9.84D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.55D-06    CP:  1.07D+00  1.03D+00  9.54D-01  1.15D+00  7.45D-01
 E= -687.347707286447     Delta-E=       -0.000000534496 Rises=F Damp=F
 DIIS: error= 3.01D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.347707286447     IErMin= 6 ErrMin= 3.01D-06
 ErrMax= 3.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-08 BMatP= 5.77D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.263D-05-0.749D-02-0.735D-02 0.131D+00 0.219D+00 0.665D+00
 Coeff:      0.263D-05-0.749D-02-0.735D-02 0.131D+00 0.219D+00 0.665D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=1.68D-06 MaxDP=2.21D-04 DE=-5.34D-07 OVMax= 2.41D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.03D-06    CP:  1.07D+00  1.03D+00  9.56D-01  1.16D+00  7.71D-01
                    CP:  9.80D-01
 E= -687.347707296947     Delta-E=       -0.000000010500 Rises=F Damp=F
 DIIS: error= 1.51D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.347707296947     IErMin= 7 ErrMin= 1.51D-06
 ErrMax= 1.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.88D-09 BMatP= 1.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.694D-04-0.421D-02-0.272D-02 0.296D-01 0.705D-01 0.377D+00
 Coeff-Com:  0.530D+00
 Coeff:      0.694D-04-0.421D-02-0.272D-02 0.296D-01 0.705D-01 0.377D+00
 Coeff:      0.530D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=4.63D-07 MaxDP=2.48D-05 DE=-1.05D-08 OVMax= 9.35D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.28D-07    CP:  1.07D+00  1.03D+00  9.56D-01  1.16D+00  7.84D-01
                    CP:  9.89D-01  8.72D-01
 E= -687.347707299767     Delta-E=       -0.000000002820 Rises=F Damp=F
 DIIS: error= 2.09D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.347707299767     IErMin= 8 ErrMin= 2.09D-07
 ErrMax= 2.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-10 BMatP= 3.88D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.171D-04-0.440D-03 0.816D-04-0.403D-02-0.130D-02 0.492D-01
 Coeff-Com:  0.178D+00 0.778D+00
 Coeff:      0.171D-04-0.440D-03 0.816D-04-0.403D-02-0.130D-02 0.492D-01
 Coeff:      0.178D+00 0.778D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=1.13D-07 MaxDP=5.96D-06 DE=-2.82D-09 OVMax= 2.26D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.08D-08    CP:  1.07D+00  1.03D+00  9.56D-01  1.16D+00  7.84D-01
                    CP:  9.99D-01  9.11D-01  9.37D-01
 E= -687.347707299842     Delta-E=       -0.000000000074 Rises=F Damp=F
 DIIS: error= 7.30D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.347707299842     IErMin= 9 ErrMin= 7.30D-08
 ErrMax= 7.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-11 BMatP= 1.16D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.427D-05-0.258D-04 0.156D-03-0.293D-02-0.316D-02 0.864D-02
 Coeff-Com:  0.615D-01 0.364D+00 0.572D+00
 Coeff:      0.427D-05-0.258D-04 0.156D-03-0.293D-02-0.316D-02 0.864D-02
 Coeff:      0.615D-01 0.364D+00 0.572D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=3.61D-08 MaxDP=3.00D-06 DE=-7.41D-11 OVMax= 5.87D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.56D-08    CP:  1.07D+00  1.03D+00  9.56D-01  1.16D+00  7.84D-01
                    CP:  9.99D-01  9.19D-01  9.48D-01  8.57D-01
 E= -687.347707299880     Delta-E=       -0.000000000039 Rises=F Damp=F
 DIIS: error= 1.95D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -687.347707299880     IErMin=10 ErrMin= 1.95D-08
 ErrMax= 1.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.65D-13 BMatP= 1.01D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.579D-06 0.216D-04 0.535D-04-0.871D-03-0.105D-02-0.326D-03
 Coeff-Com:  0.940D-02 0.828D-01 0.243D+00 0.667D+00
 Coeff:      0.579D-06 0.216D-04 0.535D-04-0.871D-03-0.105D-02-0.326D-03
 Coeff:      0.940D-02 0.828D-01 0.243D+00 0.667D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=1.18D-08 MaxDP=1.28D-06 DE=-3.89D-11 OVMax= 1.32D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.06D-09    CP:  1.07D+00  1.03D+00  9.56D-01  1.16D+00  7.84D-01
                    CP:  1.00D+00  9.18D-01  9.52D-01  8.81D-01  9.05D-01
 E= -687.347707299821     Delta-E=        0.000000000060 Rises=F Damp=F
 DIIS: error= 7.52D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -687.347707299880     IErMin=11 ErrMin= 7.52D-09
 ErrMax= 7.52D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-13 BMatP= 6.65D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.805D-07 0.155D-04 0.174D-04-0.266D-03-0.338D-03-0.983D-03
 Coeff-Com: -0.189D-03 0.150D-01 0.873D-01 0.357D+00 0.543D+00
 Coeff:     -0.805D-07 0.155D-04 0.174D-04-0.266D-03-0.338D-03-0.983D-03
 Coeff:     -0.189D-03 0.150D-01 0.873D-01 0.357D+00 0.543D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=2.62D-09 MaxDP=2.85D-07 DE= 5.96D-11 OVMax= 5.96D-08

 Error on total polarization charges =  0.01564
 SCF Done:  E(RB3LYP) =  -687.347707300     A.U. after   11 cycles
            NFock= 11  Conv=0.26D-08     -V/T= 2.0058
 KE= 6.833887757382D+02 PE=-3.266469502208D+03 EE= 1.068605524654D+03
 Leave Link  502 at Wed Mar 16 19:19:31 2022, MaxMem=  5368709120 cpu:            2093.5 elap:             262.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.65115230D+02

 Leave Link  801 at Wed Mar 16 19:19:31 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=  78.3553, EpsInf=   1.7778)
 Inv3:  Mode=1 IEnd=     8447052.
 Iteration    1 A*A^-1 deviation from unit magnitude is 5.44D-15 for   1673.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.58D-15 for    392     80.
 Iteration    1 A^-1*A deviation from unit magnitude is 5.44D-15 for   1673.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.02D-15 for   1141    507.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 1.87D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 1.84D-01 5.15D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 4.47D-02 2.89D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 4.13D-03 9.76D-03.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 3.18D-04 3.62D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 8.97D-06 5.31D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 2.43D-07 6.24D-05.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 5.33D-09 6.64D-06.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 8.92D-11 9.06D-07.
      9 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 1.21D-12 1.09D-07.
      3 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 1.85D-14 1.27D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.128272D+03
      2  0.145677D+01  0.116073D+03
      3 -0.692740D+00 -0.178095D+01  0.993077D+02
 Isotropic polarizability for W=    0.088559      114.55 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.334395D+02 -0.109616D+02 -0.174414D+02
      2  -0.264886D+02  0.111573D+02  0.138122D+02
      3  -0.695090D+01 -0.195701D+00  0.362926D+01
      4  -0.225519D+02 -0.683322D+01 -0.161840D+01
      5  -0.103584D+02 -0.370195D+01  0.907071D+01
      6   0.192656D+00  0.137989D+02 -0.116673D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.209782D+01 -0.488397D+01  0.644596D+01
      2  -0.352965D+01 -0.654318D+00  0.569562D+01
      3  -0.853617D+01 -0.128797D+02  0.226595D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.208356D+01 -0.133009D-01  0.114716D+02
      2  -0.708303D+01 -0.181106D+01  0.160216D+02
      3  -0.115903D+02 -0.196553D+02  0.389461D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.284927D+00  0.121636D+01  0.507723D+00
      2   0.121636D+01 -0.368698D+00  0.134181D+01
      3   0.507723D+00  0.134181D+01 -0.402414D+00
 OR G Eigenvalues:    -1.8765    -0.5229     1.9131  Iso=     0.1621
 Eigenvectors:
   (1)  -0.286846   0.755543  -0.588960
   (2)   0.735115  -0.220614  -0.641042
   (3)   0.614268   0.616834   0.492129
 w=    0.088559 a.u., Optical Rotation Beta=      0.1621 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       45.61 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.88D+02
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     196
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.13D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 3.94D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 8.61D-02 2.44D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 1.46D-03 5.07D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 1.59D-05 3.56D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 2.04D-07 4.62D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 9.23D-10 3.18D-06.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 3.21D-12 1.55D-07.
     10 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 9.23D-15 1.13D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   220 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 7.49D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 7.49D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.67D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.128272D+03  0.145677D+01 -0.692740D+00
      2   0.145677D+01  0.116073D+03 -0.178095D+01
      3  -0.692740D+00 -0.178095D+01  0.993077D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.209782D+01 -0.488397D+01  0.644596D+01
      2  -0.352965D+01 -0.654318D+00  0.569562D+01
      3  -0.853617D+01 -0.128797D+02  0.226595D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.334395D+02 -0.109616D+02 -0.174414D+02
      2  -0.264886D+02  0.111573D+02  0.138122D+02
      3  -0.695090D+01 -0.195701D+00  0.362926D+01
      4  -0.225519D+02 -0.683322D+01 -0.161840D+01
      5  -0.103584D+02 -0.370195D+01  0.907071D+01
      6   0.192656D+00  0.137989D+02 -0.116673D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.350126D+01  0.275495D+01 -0.947498D+00  0.203044D+01  0.280968D+01
      2   0.275495D+01  0.277399D+01  0.340436D+00  0.280968D+01 -0.462119D+01
      3  -0.947498D+00  0.340436D+00 -0.886240D+00  0.424136D+00 -0.152549D+01
                 6             7             8             9            10 
      1   0.424136D+00 -0.126346D+01  0.683018D+00 -0.468378D+00  0.431364D+01
      2  -0.152549D+01  0.683018D+00 -0.291577D+01 -0.122457D+01 -0.263162D+01
      3   0.895469D+00 -0.468378D+00 -0.122457D+01  0.117572D+02  0.158691D+01
                11            12            13            14            15 
      1  -0.263162D+01  0.158691D+01 -0.342045D+01 -0.269236D+01 -0.692670D+00
      2  -0.193586D+01 -0.366887D+00 -0.269236D+01  0.228471D+01  0.942475D+00
      3  -0.366887D+00 -0.134914D+01 -0.692670D+00  0.942475D+00  0.165100D+01
                16            17            18            19            20 
      1   0.260031D+01 -0.121458D+01  0.959370D+00  0.174518D+01 -0.305210D+01
      2  -0.121458D+01  0.142213D+01  0.577851D+00 -0.305210D+01 -0.236940D+01
      3   0.959370D+00  0.577851D+00 -0.119146D+02  0.113142D+01  0.339254D+00
                21            22            23            24            25 
      1   0.113142D+01 -0.450027D+01 -0.382676D+01  0.193426D+00  0.239530D+01
      2   0.339254D+00 -0.382676D+01  0.310583D+01  0.124857D+01  0.385074D+00
      3   0.111575D+01  0.193426D+00  0.124857D+01  0.179648D+01 -0.146083D+00
                26            27            28            29            30 
      1   0.385074D+00 -0.146083D+00  0.608907D+00  0.446183D+01 -0.130965D+01
      2   0.242658D+01  0.515011D+00  0.446183D+01  0.215592D+01  0.114560D-01
      3   0.515011D+00 -0.114233D+02 -0.130965D+01  0.114560D-01 -0.136078D+01
                31            32            33            34            35 
      1   0.454672D+01  0.357622D+01  0.145741D+00 -0.176242D+01  0.273072D+00
      2   0.357622D+01 -0.440327D+01 -0.120117D+01  0.273072D+00 -0.244431D+01
      3   0.145741D+00 -0.120117D+01 -0.107029D+01 -0.767558D+00  0.367697D-01
                36            37            38            39            40 
      1  -0.767558D+00  0.279010D+01 -0.390891D+01  0.673803D+00 -0.521483D+01
      2   0.367697D-01 -0.390891D+01 -0.412748D+00 -0.727027D+00 -0.129080D+01
      3   0.120657D+02  0.673803D+00 -0.727027D+00  0.196796D+00 -0.183924D+00
                41            42            43            44            45 
      1  -0.129080D+01 -0.183924D+00  0.393908D+01  0.302621D+00  0.285608D+00
      2  -0.399948D+01  0.120159D+01  0.302621D+00  0.179029D+01 -0.111518D+01
      3   0.120159D+01  0.102674D+01  0.285608D+00 -0.111518D+01 -0.186148D+01
                46            47            48            49            50 
      1  -0.553399D+01  0.103455D+01 -0.270872D+00  0.375780D+01  0.272463D+01
      2   0.103455D+01  0.198153D+01  0.126677D+01  0.272463D+01 -0.206990D+01
      3  -0.270872D+00  0.126677D+01 -0.103462D+01  0.266065D+00 -0.745165D+00
                51            52            53            54            55 
      1   0.266065D+00 -0.245945D+01  0.404148D+00  0.156215D+00  0.482109D+01
      2  -0.745165D+00  0.404148D+00 -0.224140D+01  0.513427D+00 -0.110201D+01
      3  -0.314616D+01  0.156215D+00  0.513427D+00  0.118356D+02  0.179997D+01
                56            57            58            59            60 
      1  -0.110201D+01  0.179997D+01 -0.678830D+00  0.121791D+00 -0.481691D+00
      2   0.225459D+01 -0.366235D+00  0.121791D+00  0.919496D+01  0.181080D+01
      3  -0.366235D+00  0.131574D+01 -0.481691D+00  0.181080D+01 -0.801732D+00
                61            62            63            64            65 
      1   0.272862D+01 -0.138367D+01  0.450357D-01  0.560278D+00 -0.437476D+00
      2  -0.138367D+01  0.432664D+01  0.201290D+01 -0.437476D+00 -0.447890D+00
      3   0.450357D-01  0.201290D+01  0.166611D+00 -0.103513D+01 -0.352615D-01
                66            67            68            69            70 
      1  -0.103513D+01 -0.208197D+00 -0.413095D+00 -0.104785D-02 -0.209438D+01
      2  -0.352615D-01 -0.413095D+00  0.103661D+01 -0.120969D+01  0.878501D-01
      3   0.314778D+00 -0.104785D-02 -0.120969D+01  0.679696D+00 -0.147600D-01
                71            72            73            74            75 
      1   0.878501D-01 -0.147600D-01 -0.407757D+01  0.427173D+01 -0.194738D+01
      2  -0.216258D+01  0.117425D+01  0.427173D+01  0.850867D+00 -0.359836D+00
      3   0.117425D+01 -0.973361D+01 -0.194738D+01 -0.359836D+00  0.168100D+01
                76            77            78            79            80 
      1   0.741965D+01 -0.735589D+00  0.511664D-01 -0.495815D+01  0.656123D-01
      2  -0.735589D+00  0.347339D+01 -0.128661D+01  0.656123D-01 -0.172382D+01
      3   0.511664D-01 -0.128661D+01  0.647043D+00 -0.178602D+01  0.593253D+00
                81            82            83            84            85 
      1  -0.178602D+01 -0.902061D+00  0.480658D+00  0.117842D+01  0.399489D+00
      2   0.593253D+00  0.480658D+00  0.309414D+00  0.820880D-01  0.286808D+00
      3  -0.255004D+00  0.117842D+01  0.820880D-01 -0.447115D+00  0.104692D+00
                86            87            88            89            90 
      1   0.286808D+00  0.104692D+00  0.227599D+01  0.180596D+00 -0.106614D+01
      2  -0.595039D+00  0.115635D+01  0.180596D+00  0.193897D+01 -0.310449D+00
      3   0.115635D+01 -0.625659D+00 -0.106614D+01 -0.310449D+00  0.976794D+01
                91            92            93            94            95 
      1  -0.245991D+00  0.311872D+00  0.117192D+01  0.500852D+00  0.579980D+00
      2   0.311872D+00  0.591568D+00  0.505031D-01  0.579980D+00 -0.453895D+00
      3   0.117192D+01  0.505031D-01  0.712855D-01  0.633127D-01  0.974005D+00
                96            97            98            99           100 
      1   0.633127D-01  0.215094D+01 -0.478933D-01  0.492448D+00  0.713732D+01
      2   0.974005D+00 -0.478933D-01  0.200406D+01  0.262875D+00  0.264575D+01
      3  -0.388633D+00  0.492448D+00  0.262875D+00  0.967234D+01 -0.105799D+01
               101           102           103           104           105 
      1   0.264575D+01 -0.105799D+01  0.114324D+01  0.357088D+01  0.113954D+00
      2   0.372597D+01  0.139893D+00  0.357088D+01 -0.376256D+01 -0.172997D+01
      3   0.139893D+00 -0.513961D+00  0.113954D+00 -0.172997D+01 -0.164059D+01
               106           107           108           109           110 
      1  -0.258922D+01 -0.721498D+00  0.139399D+01  0.483113D+00 -0.396126D+01
      2  -0.721498D+00 -0.355381D+01  0.606207D+00 -0.396126D+01  0.768765D+00
      3   0.139399D+01  0.606207D+00 -0.123460D+00  0.222494D+01 -0.633107D+00
               111           112           113           114           115 
      1   0.222494D+01 -0.418974D+01 -0.257285D+01  0.365994D-01  0.383272D+01
      2  -0.633107D+00 -0.257285D+01  0.887978D+01  0.187819D+01 -0.559891D-01
      3   0.181606D+01  0.365994D-01  0.187819D+01 -0.500892D+00 -0.240010D+00
               116           117           118           119           120 
      1  -0.559891D-01 -0.240010D+00  0.932482D+00 -0.723044D+00 -0.128939D+01
      2   0.220222D+01  0.158279D+01 -0.723044D+00 -0.130254D+00 -0.851889D-01
      3   0.158279D+01 -0.105954D+02 -0.128939D+01 -0.851889D-01  0.914147D+00
               121           122           123           124           125 
      1  -0.811478D+00 -0.151328D+00 -0.102524D+00 -0.286349D+01 -0.187009D+00
      2  -0.151328D+00  0.299357D+00 -0.109620D+01 -0.187009D+00 -0.158470D+01
      3  -0.102524D+00 -0.109620D+01 -0.199736D+00  0.126126D+01 -0.556089D+00
               126           127           128           129           130 
      1   0.126126D+01 -0.451446D+01 -0.281861D+01 -0.131882D+00 -0.321712D+01
      2  -0.556089D+00 -0.281861D+01 -0.277199D+01 -0.471300D+00 -0.345842D+01
      3  -0.100271D+02 -0.131882D+00 -0.471300D+00  0.149692D+01 -0.510638D+00
               131           132           133           134           135 
      1  -0.345842D+01 -0.510638D+00 -0.927509D+00 -0.102703D+01  0.802258D+00
      2  -0.687634D+01 -0.178121D+00 -0.102703D+01 -0.163690D+01  0.502079D+00
      3  -0.178121D+00  0.122229D+01  0.802258D+00  0.502079D+00 -0.725298D+01
               136           137           138           139           140 
      1   0.102525D+00 -0.472709D+00 -0.133754D+01 -0.619932D+00 -0.672055D+00
      2  -0.472709D+00 -0.455830D+00 -0.134168D+00 -0.672055D+00 -0.355598D+00
      3  -0.133754D+01 -0.134168D+00 -0.135164D+00  0.101547D+00 -0.109466D+01
               141           142           143           144           145 
      1   0.101547D+00 -0.263673D+01 -0.396399D+00 -0.119938D+01 -0.631290D+01
      2  -0.109466D+01 -0.396399D+00 -0.170965D+01 -0.152345D+01  0.358260D+01
      3  -0.221900D+00 -0.119938D+01 -0.152345D+01 -0.101194D+02 -0.764394D+00
               146           147           148           149           150 
      1   0.358260D+01 -0.764394D+00  0.286188D+01 -0.224754D+01  0.219231D+00
      2  -0.449047D+01  0.183172D+00 -0.224754D+01  0.314018D+01 -0.300373D+00
      3   0.183172D+00 -0.153507D+01  0.219231D+00 -0.300373D+00  0.103656D+01
               151           152           153           154           155 
      1  -0.174589D+01  0.926388D+00 -0.746119D+00 -0.847715D+01 -0.237913D+01
      2   0.926388D+00 -0.137524D+01  0.694938D+00 -0.237913D+01 -0.231036D+01
      3  -0.746119D+00  0.694938D+00 -0.219272D+00  0.377005D+00  0.259973D+00
               156           157           158           159           160 
      1   0.377005D+00 -0.500378D+01 -0.182079D+01  0.200060D+00  0.204189D+01
      2   0.259973D+00 -0.182079D+01 -0.221120D+01  0.413636D+00  0.604628D+00
      3  -0.154111D+01  0.200060D+00  0.413636D+00 -0.837307D+00 -0.905771D+00
               161           162           163           164           165 
      1   0.604628D+00 -0.905771D+00 -0.268563D+00  0.617883D+00  0.240222D+00
      2   0.724828D+00 -0.247961D+00  0.617883D+00 -0.678391D+00 -0.116077D+00
      3  -0.247961D+00  0.129773D+00  0.240222D+00 -0.116077D+00  0.150806D+00
               166           167           168           169           170 
      1   0.269610D+01  0.982004D+00 -0.108394D+00  0.835125D+00  0.325928D-01
      2   0.982004D+00  0.998776D+01  0.972769D+00  0.325928D-01  0.239002D+01
      3  -0.108394D+00  0.972769D+00  0.172380D+01  0.170769D+00  0.100062D+01
               171           172           173           174           175 
      1   0.170769D+00  0.107354D+02  0.127259D+01 -0.159222D+01  0.146823D+00
      2   0.100062D+01  0.127259D+01  0.114925D+01  0.279590D+00  0.380753D+01
      3   0.304701D+00 -0.159222D+01  0.279590D+00 -0.207152D+00  0.164824D+00
               176           177           178           179           180 
      1   0.380753D+01  0.164824D+00 -0.345125D+01 -0.254714D+00  0.210743D+01
      2  -0.589345D+01 -0.655763D+00 -0.254714D+00 -0.800063D+00  0.806312D-01
      3  -0.655763D+00 -0.134453D+01  0.210743D+01  0.806312D-01 -0.532529D+00
               181           182           183           184           185 
      1   0.785015D+00 -0.118991D+01 -0.647931D+00 -0.255616D+01  0.272475D+01
      2  -0.118991D+01  0.704150D+00  0.118589D+00  0.272475D+01 -0.112102D+02
      3  -0.647931D+00  0.118589D+00  0.266052D+00  0.149927D+00 -0.114579D+01
               186           187           188           189           190 
      1   0.149927D+00 -0.145944D+01  0.523232D+00  0.494656D+00 -0.203291D-01
      2  -0.114579D+01  0.523232D+00 -0.231763D+01 -0.144195D+01  0.327489D+00
      3  -0.112908D+01  0.494656D+00 -0.144195D+01  0.170907D+00  0.115610D+01
               191           192           193           194           195 
      1   0.327489D+00  0.115610D+01  0.969347D+00  0.255728D+00 -0.247907D-01
      2   0.322721D-01  0.701122D-01  0.255728D+00 -0.105608D+01  0.989609D+00
      3   0.701122D-01 -0.260638D+00 -0.247907D-01  0.989609D+00  0.511981D+00
               196           197           198           199           200 
      1   0.236782D+01 -0.217393D+00  0.981889D+00 -0.111423D+01 -0.497643D+00
      2  -0.217393D+00  0.166460D+01 -0.159735D+01 -0.497643D+00 -0.557792D+00
      3   0.981889D+00 -0.159735D+01  0.107729D+02  0.697048D+00  0.276412D+00
               201           202           203           204           205 
      1   0.697048D+00 -0.427252D+00 -0.278918D+00  0.173693D+00  0.269355D+01
      2   0.276412D+00 -0.278918D+00 -0.950370D+00  0.582736D+00  0.127934D+01
      3  -0.766326D+00  0.173693D+00  0.582736D+00 -0.719073D+00 -0.215783D+01
               206           207           208           209           210 
      1   0.127934D+01 -0.215783D+01 -0.465895D-01  0.141252D+01  0.941176D-01
      2   0.307991D+01 -0.234170D+01  0.141252D+01 -0.737306D+00 -0.123158D+00
      3  -0.234170D+01  0.757872D+01  0.941176D-01 -0.123158D+00  0.697970D+00
               211           212           213           214           215 
      1   0.437569D+01 -0.127950D+01 -0.302695D+00  0.350057D+00 -0.241992D+00
      2  -0.127950D+01  0.705597D+01 -0.173669D-02 -0.241992D+00  0.495616D+00
      3  -0.302695D+00 -0.173669D-02  0.143453D+01  0.347120D+00  0.205094D+00
               216 
      1   0.347120D+00
      2   0.205094D+00
      3  -0.164340D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.128429D+01  0.225695D-01 -0.520915D+00 -0.185708D+01  0.227986D+01
      2   0.113059D+01 -0.147828D+00  0.139279D+01  0.105653D+01  0.195822D+01
      3  -0.129144D+01  0.128322D+01 -0.958001D+00  0.627065D+01 -0.765123D+00
                 6             7             8             9            10 
      1   0.156471D+01  0.775327D+00  0.448316D+01 -0.108123D+02 -0.762430D+00
      2   0.366288D+00 -0.280556D+01  0.145135D+00 -0.663043D+01 -0.318449D+01
      3  -0.102813D+00 -0.791021D+00 -0.227347D+01 -0.138509D+01 -0.368398D+01
                11            12            13            14            15 
      1  -0.236861D+01 -0.111249D+01 -0.345868D+00 -0.150580D+01 -0.171475D+01
      2  -0.391267D+00 -0.229546D+00  0.444723D+00 -0.140762D+01 -0.219045D+01
      3  -0.512207D+01 -0.725609D-01  0.472456D+00  0.244358D+01  0.263953D+01
                16            17            18            19            20 
      1  -0.109940D+01  0.245410D+01 -0.927345D+00 -0.214922D+01 -0.125407D+00
      2  -0.441701D+01 -0.111395D+01  0.159189D+02 -0.261485D+00  0.152070D+01
      3  -0.141713D+01  0.247122D+01  0.103014D+01  0.237407D+01 -0.392342D+01
                21            22            23            24            25 
      1   0.961746D+00 -0.138489D+01 -0.187935D+01 -0.724290D+00  0.820613D+00
      2  -0.457537D+00  0.447311D+00  0.129458D+01 -0.366210D+00 -0.457129D+01
      3   0.110423D-01  0.205525D+01 -0.442203D+01 -0.178969D+01  0.243237D+01
                26            27            28            29            30 
      1   0.222733D+01  0.666085D+01 -0.218675D+01  0.896477D+00  0.132672D+01
      2   0.380154D+00 -0.620000D+01 -0.215805D+01  0.133542D+01 -0.348384D+01
      3  -0.104011D+01 -0.547907D+00 -0.786403D+01 -0.929872D+01  0.428890D+00
                31            32            33            34            35 
      1  -0.468173D+00  0.246017D+00 -0.119519D+00 -0.237908D-01  0.328539D+01
      2  -0.628960D+00 -0.130857D+01 -0.361786D+01 -0.541898D+01  0.650657D+00
      3  -0.565137D+01  0.701328D+01  0.209479D+01  0.897770D+00  0.110280D+01
                36            37            38            39            40 
      1   0.532276D+01  0.241507D+01 -0.341622D+00 -0.131445D+01  0.406477D+00
      2   0.175904D+02  0.115995D+01  0.352055D+00  0.134570D+02 -0.159051D+00
      3   0.787865D+00 -0.402614D+01 -0.201190D+01 -0.181054D+01  0.205401D+02
                41            42            43            44            45 
      1   0.838000D+00 -0.550097D+01  0.196969D+01  0.284669D+01  0.977478D-01
      2  -0.234198D+00  0.810070D+00 -0.808153D+01 -0.138080D+01  0.137557D+01
      3   0.230925D+01  0.197975D+00 -0.575225D+01 -0.518719D+00 -0.464776D+00
                46            47            48            49            50 
      1  -0.315035D+00  0.412158D+00 -0.120800D+01 -0.643817D+00 -0.775515D-01
      2   0.828671D+00  0.144920D+00 -0.597449D+01 -0.558090D+00  0.204844D+01
      3   0.922952D+01  0.554015D+01  0.863286D+00 -0.362872D+00 -0.190123D+01
                51            52            53            54            55 
      1  -0.124888D+01 -0.222496D+01  0.306525D+01  0.110183D+02 -0.529593D+01
      2   0.426888D+01 -0.421344D+01 -0.177342D+01 -0.181368D+02 -0.403100D+01
      3  -0.244904D+01  0.278732D+01 -0.265625D+01  0.337111D+00  0.159241D+02
                56            57            58            59            60 
      1   0.228662D+01 -0.227972D+01  0.284858D+01 -0.467057D+01 -0.685905D+01
      2   0.338878D+01  0.117865D+01  0.109686D+01 -0.270524D+01 -0.133058D+00
      3  -0.611226D+01  0.325970D+01  0.430560D+01  0.998102D+01 -0.124639D-01
                61            62            63            64            65 
      1  -0.143696D+01  0.159168D+01 -0.361521D+01  0.119141D+01 -0.678767D-02
      2  -0.530014D+01 -0.106051D+00 -0.131180D+01  0.927927D+00 -0.452997D+00
      3   0.747646D+01  0.174910D+01  0.204605D+01  0.350663D+00 -0.186041D+01
                66            67            68            69            70 
      1  -0.439115D+00  0.117280D+00  0.131332D+01 -0.101803D+01 -0.300155D+00
      2   0.115725D+01 -0.313405D+00  0.461358D+00 -0.167436D+00 -0.452684D+01
      3  -0.116876D+01  0.676035D+00  0.223234D+00 -0.788657D+00 -0.283744D+01
                71            72            73            74            75 
      1   0.392005D+01  0.110915D+02 -0.959583D+00  0.477790D+00  0.182385D+01
      2  -0.591083D+00  0.630457D+01  0.843647D+01  0.227022D+01  0.420367D+01
      3  -0.121464D+01  0.107419D+01  0.135999D+02 -0.152487D+01 -0.136828D+01
                76            77            78            79            80 
      1  -0.189709D+01  0.172686D-01 -0.321964D+01  0.166432D+01  0.382975D+01
      2   0.240343D+01  0.348330D+01 -0.447963D+01 -0.211671D+01 -0.207720D+01
      3   0.790790D+01  0.156464D+02 -0.290227D+01 -0.185293D+01 -0.738474D+01
                81            82            83            84            85 
      1   0.713899D+00  0.182220D+00  0.285910D+00  0.137084D-01  0.641311D+00
      2   0.371673D+01 -0.186828D+01 -0.203305D+00  0.119457D+01  0.376528D-01
      3   0.127683D+01  0.895998D+00 -0.546587D+00  0.135479D+00  0.168404D+01
                86            87            88            89            90 
      1  -0.470517D+00 -0.186407D+01  0.349428D+00  0.470580D+01 -0.106532D+01
      2  -0.194620D+01  0.111562D+01 -0.344617D+01  0.366726D+00 -0.153115D+02
      3  -0.589864D+00  0.146655D+01  0.306121D+00  0.353425D+01  0.161569D-01
                91            92            93            94            95 
      1  -0.799179D+00  0.272975D+00  0.401170D+00  0.256104D+00 -0.116210D+01
      2   0.141560D+01  0.803954D-01  0.551699D+00  0.435712D+00  0.155883D+00
      3  -0.323628D+00 -0.120716D+01  0.868852D+00  0.128900D+01  0.239416D+00
                96            97            98            99           100 
      1  -0.832455D+00 -0.576085D+00  0.469723D+01 -0.746031D+01  0.234586D+01
      2  -0.594179D+00 -0.493652D+01  0.417451D+00  0.603288D+01 -0.199937D+01
      3  -0.408665D+00  0.134294D+01 -0.144132D+01 -0.853380D-01  0.910751D+01
               101           102           103           104           105 
      1   0.787580D-01 -0.216899D+01  0.144432D+01  0.618835D+01 -0.240945D+01
      2  -0.795150D+00  0.635650D+01  0.414294D+00 -0.302776D+01  0.601280D+00
      3  -0.112681D+02 -0.149471D+01 -0.289653D+00  0.147376D+02  0.347655D+01
               106           107           108           109           110 
      1  -0.180838D+01  0.462028D+01  0.247690D+01  0.205605D+01 -0.496266D+00
      2  -0.190923D+01  0.758778D+00 -0.201187D+01  0.362345D+01 -0.773678D+00
      3  -0.517100D+01  0.649807D+01  0.101533D+01  0.536809D+01  0.455190D+01
               111           112           113           114           115 
      1   0.289204D+01 -0.212597D+01  0.912511D+01 -0.559106D+00 -0.148808D+01
      2   0.854190D+00  0.201861D+00  0.455761D+01 -0.315835D+01 -0.462985D+01
      3  -0.125026D+01  0.141779D+02 -0.163438D+02 -0.431182D+01 -0.354094D+01
               116           117           118           119           120 
      1   0.386518D+01 -0.159280D+02 -0.432412D+00  0.715862D-01  0.744234D+00
      2   0.382014D+01 -0.218841D+02 -0.130629D+01 -0.536574D+00  0.239566D+01
      3  -0.530355D+01 -0.369419D+01  0.547170D+00 -0.178051D+00  0.117369D+01
               121           122           123           124           125 
      1  -0.980382D-01 -0.112691D+01 -0.936275D+00  0.413487D+00  0.420628D+01
      2   0.481360D-02 -0.137806D+01 -0.534544D-01 -0.429506D+01 -0.626884D+00
      3   0.237865D+01 -0.106928D+01  0.155947D+01  0.242349D+01  0.275604D+01
               126           127           128           129           130 
      1  -0.490560D+01 -0.571924D+00 -0.127555D+01  0.108558D+01  0.235396D+00
      2  -0.127807D+02 -0.332921D+00 -0.616271D+00  0.439107D+01  0.111042D+01
      3  -0.490553D+00  0.531440D+01 -0.722442D+01  0.627877D+00  0.728157D+01
               131           132           133           134           135 
      1   0.630773D+00 -0.527662D+01  0.457444D+01  0.426578D+01 -0.170422D+02
      2   0.916455D-02  0.450419D+00 -0.377809D+01 -0.235481D+01  0.150424D+02
      3  -0.778966D+01  0.290249D+00  0.146281D+00  0.621442D-01 -0.951788D+00
               136           137           138           139           140 
      1  -0.149610D+01 -0.331976D-01 -0.261708D+00  0.888565D+00 -0.136163D+01
      2   0.215425D+01 -0.843708D-01  0.100826D+01  0.157617D+00  0.116881D+01
      3  -0.860959D+00 -0.139779D+01  0.187191D+01  0.897489D+00  0.112887D+01
               141           142           143           144           145 
      1  -0.878127D+00 -0.695591D+00  0.351938D+01 -0.108761D+02  0.417453D+01
      2  -0.242287D+00 -0.387014D+01  0.162776D+01  0.143776D+02  0.369860D+01
      3  -0.166788D+01  0.369338D+01 -0.208410D+01  0.653761D+00 -0.163505D+02
               146           147           148           149           150 
      1  -0.214882D+01  0.460946D+01 -0.151068D+01  0.176590D+01 -0.250182D+01
      2  -0.234477D+01  0.332529D+01 -0.169495D+01  0.138908D+01 -0.187484D+01
      3   0.269110D+01 -0.244724D+01  0.565593D+01 -0.292957D+01  0.323357D+00
               151           152           153           154           155 
      1   0.249915D+01 -0.133774D+01  0.991917D+00  0.130580D+01  0.642514D+00
      2   0.107248D+01 -0.142163D+01  0.800080D+00 -0.479142D+01 -0.211807D+01
      3  -0.492174D+01  0.664662D+00 -0.134834D+01 -0.120022D+02 -0.102491D+02
               156           157           158           159           160 
      1  -0.347923D+00  0.106375D+01  0.255401D+00 -0.452718D+00 -0.321488D+00
      2   0.548209D+01 -0.317548D+01 -0.229153D+01  0.351188D+01  0.275339D+01
      3   0.115871D+01 -0.770666D+01 -0.113031D+02  0.169384D+01  0.292582D+01
               161           162           163           164           165 
      1   0.674844D+00  0.309910D+00 -0.434059D+00  0.597318D+00  0.201235D+00
      2   0.128038D+01 -0.889224D+00  0.676328D+00 -0.364669D+00 -0.101818D+00
      3   0.361117D+01 -0.117589D+01 -0.386085D+01  0.339782D+01  0.105652D+01
               166           167           168           169           170 
      1   0.133490D+00 -0.458578D+01 -0.481815D+01 -0.283716D+00 -0.203618D+01
      2  -0.385470D+00  0.176115D+01  0.243807D+01 -0.742641D+00  0.161943D+01
      3   0.649018D+01 -0.204016D+02 -0.266779D+01  0.258610D+01 -0.544721D+01
               171           172           173           174           175 
      1  -0.109619D+01 -0.115480D+01 -0.968589D+00 -0.216248D+01  0.101178D+01
      2   0.513851D+00 -0.427130D+01 -0.904461D+00  0.882998D+01  0.265659D+00
      3  -0.157590D+01 -0.112271D+02 -0.160556D+02  0.161737D+01 -0.121811D+02
               176           177           178           179           180 
      1   0.176314D+01 -0.439593D+01  0.245489D+01  0.460941D+01  0.475994D+00
      2  -0.167806D+01 -0.209396D+01  0.172687D+01  0.192352D+00 -0.368210D+01
      3   0.242616D+02  0.124007D+01  0.225719D+01  0.471855D+01 -0.233218D+01
               181           182           183           184           185 
      1  -0.171726D+01  0.589041D+00  0.841714D+00  0.113811D+01 -0.601675D+01
      2  -0.159224D+01  0.635770D+00  0.174189D+01  0.481527D+00 -0.285044D+01
      3   0.187465D+01 -0.129113D+01  0.744621D+00  0.792692D+00  0.232539D+02
               186           187           188           189           190 
      1  -0.543848D+01  0.110748D+01 -0.204692D+01 -0.578065D+00  0.213356D+01
      2  -0.308484D+01  0.533524D+00 -0.341688D+01  0.240724D+00  0.351860D+01
      3   0.262056D+01  0.214468D+01  0.454708D+01  0.267813D+01  0.507405D-01
               191           192           193           194           195 
      1   0.235790D-01 -0.240734D+00 -0.677536D-01  0.847767D+00  0.456687D+00
      2  -0.103178D+00  0.187163D+00 -0.827031D+00  0.255313D+01  0.119853D+01
      3  -0.151687D+01 -0.165718D+01 -0.114652D+01  0.190803D+01 -0.208308D+01
               196           197           198           199           200 
      1   0.790466D+00  0.270181D+01  0.151054D+02  0.145953D+01  0.750168D+00
      2  -0.329993D+01 -0.336787D+01  0.247758D+02 -0.211893D+01 -0.897694D+00
      3  -0.291436D+01 -0.378159D+01  0.328545D+01  0.103720D+01 -0.250508D+00
               201           202           203           204           205 
      1  -0.186318D+01  0.414122D+00  0.202979D+01 -0.130250D+01 -0.570106D+01
      2   0.162387D+01 -0.707018D+00 -0.145974D+01  0.159536D+01  0.230868D+01
      3  -0.105398D+01  0.357716D+00 -0.938701D+00  0.878816D+00 -0.344291D+01
               206           207           208           209           210 
      1  -0.301752D+01  0.191191D+02 -0.273629D+00  0.357387D+00 -0.981750D+00
      2   0.513526D+01 -0.168750D+02  0.491197D-04  0.116596D+00  0.569307D+00
      3   0.339960D+01  0.314748D+00 -0.491407D+01  0.553418D+01  0.353347D+00
               211           212           213           214           215 
      1   0.145343D+00 -0.355431D+01  0.395721D+00 -0.728756D+00  0.909643D+00
      2  -0.108964D+00 -0.553313D+00  0.570017D+01 -0.176102D+00  0.110699D+01
      3   0.824529D+01 -0.339628D+02  0.356348D+00  0.122182D+01 -0.196897D+01
               216 
      1   0.326202D-01
      2  -0.629885D+00
      3  -0.463826D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.311406D+01 -0.866933D+01 -0.528705D+00 -0.625027D+01  0.144293D+02
      2   0.186398D+01  0.121602D+02 -0.743052D+00  0.749436D+01 -0.278404D+02
      3  -0.497804D+01 -0.349082D+01  0.127176D+01 -0.124409D+01  0.134111D+02
      4  -0.429060D+01 -0.287037D+01 -0.854190D+00 -0.101275D+02  0.104303D+02
      5   0.217179D+01 -0.137846D+01 -0.824419D+00 -0.405795D+01  0.194833D+01
      6   0.921492D+00  0.251172D+01  0.979908D+00  0.336135D+01 -0.826505D+01
                 6             7             8             9            10 
      1   0.288847D+01  0.167645D+01  0.431527D+01  0.130106D+02 -0.247562D+02
      2  -0.112818D+01 -0.363438D+00 -0.126771D+02  0.534652D+01  0.120058D+02
      3  -0.176029D+01 -0.131301D+01  0.836183D+01 -0.183571D+02  0.127504D+02
      4   0.281567D+01 -0.229223D+01  0.394288D+01  0.993195D+00  0.130396D+02
      5   0.118338D+01  0.138654D+01  0.201938D+01 -0.146798D+02 -0.959097D+01
      6  -0.108876D+02  0.262227D+00 -0.460346D+01  0.289192D+02  0.332608D+00
                11            12            13            14            15 
      1   0.634778D+01 -0.225024D+01  0.125144D+02  0.795619D+01  0.178576D+01
      2  -0.389431D+00  0.474078D+01 -0.718703D+01 -0.193050D+01 -0.202169D+01
      3  -0.595835D+01 -0.249054D+01 -0.532734D+01 -0.602569D+01  0.235922D+00
      4  -0.498155D+01  0.132532D+01  0.639716D+01 -0.570209D+01 -0.220794D+01
      5   0.107998D+01 -0.655908D+01  0.366782D+01 -0.403440D+00 -0.385023D+01
      6  -0.262184D+01  0.267811D+01 -0.143543D+01  0.478254D+00 -0.689972D-01
                16            17            18            19            20 
      1  -0.129498D+02  0.316731D+01  0.636794D+01 -0.101789D+02  0.103620D+01
      2   0.399916D+01 -0.252749D+01  0.112433D+02  0.230656D+01 -0.819136D+01
      3   0.895061D+01 -0.639823D+00 -0.176113D+02  0.787234D+01  0.715516D+01
      4   0.748445D+01 -0.366107D+01 -0.262141D+01 -0.847235D+01 -0.114399D+02
      5  -0.426549D+01 -0.258327D+01  0.405715D+02  0.325905D+01  0.226211D+01
      6   0.439782D+00  0.391390D+00  0.130617D+01 -0.110879D+00  0.228612D+01
                21            22            23            24            25 
      1  -0.147299D+01 -0.867588D+01 -0.444395D+01 -0.259820D+01  0.399448D+01
      2  -0.183020D+01  0.130431D+01  0.324373D+01  0.371075D+00  0.129160D+01
      3   0.330319D+01  0.737156D+01  0.120022D+01  0.222712D+01 -0.528608D+01
      4   0.114362D+01 -0.130698D+02 -0.313022D+01  0.323160D+00  0.478535D+01
      5  -0.660806D+01  0.284096D+01  0.862884D+00 -0.145585D+01 -0.104201D+00
      6  -0.286814D+01  0.220485D+00  0.422296D+01 -0.259513D+01 -0.110272D+01
                26            27            28            29            30 
      1   0.737570D+00  0.933760D+01 -0.114667D+02  0.133652D+02 -0.590554D+01
      2   0.146044D+01  0.120228D+02  0.422560D+01 -0.107999D+02  0.167985D+00
      3  -0.219801D+01 -0.213604D+02  0.724105D+01 -0.256530D+01  0.573756D+01
      4   0.512939D+01 -0.229413D+00 -0.189475D+01 -0.100323D+02  0.347218D+01
      5  -0.153632D+00 -0.155993D+02 -0.532335D+01  0.215176D+01 -0.126388D+02
      6   0.241311D+01 -0.169733D+02  0.481918D+01 -0.115101D+01  0.131687D+00
                31            32            33            34            35 
      1   0.920503D+01  0.673951D+01 -0.433053D+01 -0.326033D+01 -0.907266D+00
      2  -0.609087D+01 -0.626312D+01 -0.346575D-02 -0.305069D+01  0.287254D+01
      3  -0.311416D+01 -0.476395D+00  0.433400D+01  0.631103D+01 -0.196528D+01
      4  -0.880477D+01 -0.177210D+02 -0.210835D+01  0.172683D+01 -0.314162D+01
      5   0.114946D+00 -0.122036D+01 -0.673959D+01 -0.458391D+01 -0.217037D+00
      6  -0.858506D+00  0.188818D+01 -0.419320D+01  0.873584D+00 -0.894669D+00
                36            37            38            39            40 
      1   0.958177D+01  0.488349D+01 -0.258519D+01 -0.797987D+00  0.231521D+00
      2   0.105020D+02 -0.156514D+01  0.236808D+01 -0.127305D+00  0.959450D+00
      3  -0.200837D+02 -0.331834D+01  0.217108D+00  0.925292D+00 -0.119097D+01
      4   0.424152D+00 -0.260627D+01  0.214365D+02 -0.164331D+01  0.180370D+02
      5   0.340226D+02  0.203533D+01  0.898397D-01  0.257366D+02 -0.168561D+01
      6  -0.133689D+02 -0.201109D+01  0.230992D+01  0.297439D+01 -0.283944D+00
                41            42            43            44            45 
      1  -0.189419D+02  0.556749D+01  0.129727D+01  0.432295D+01 -0.106108D+02
      2   0.257094D+02 -0.124348D+01 -0.238371D+01 -0.461091D+01 -0.276171D+01
      3  -0.676753D+01 -0.432401D+01  0.108644D+01  0.287963D+00  0.133725D+02
      4   0.386808D+01 -0.269794D+00 -0.841701D+01 -0.192388D+00 -0.143395D+01
      5  -0.101822D+01  0.248320D+01  0.688484D+01  0.964602D-01  0.261593D+01
      6  -0.434784D+01  0.754251D+01 -0.870330D+00  0.937741D+01  0.854142D+00
                46            47            48            49            50 
      1  -0.140763D+02  0.208267D+01  0.498493D+01 -0.998196D+01 -0.244340D+01
      2   0.808283D+01 -0.835683D+01 -0.148131D+01 -0.747557D+00 -0.743311D+01
      3   0.599349D+01  0.627416D+01 -0.350362D+01  0.107295D+02  0.987651D+01
      4   0.292087D+01 -0.269747D+02 -0.171875D+01 -0.229958D+02 -0.505492D+01
      5   0.378713D+00 -0.116555D+01 -0.156739D+02  0.124058D+01  0.751242D+00
      6  -0.506490D+00 -0.287427D+01 -0.162833D+01  0.200899D+00  0.180023D+01
                51            52            53            54            55 
      1  -0.256584D+01  0.591194D+01 -0.216793D+01  0.153285D+02 -0.280147D+01
      2  -0.303354D+00  0.170088D+01  0.966339D+01  0.112272D+02 -0.540124D+01
      3   0.286919D+01 -0.761282D+01 -0.749546D+01 -0.265557D+02  0.820271D+01
      4   0.167866D+01  0.341191D+01  0.317705D+01  0.741310D+00  0.232123D+02
      5   0.677143D+01 -0.358773D+01 -0.145678D+01 -0.356300D+02 -0.346198D+01
      6  -0.288809D+01  0.187173D+00 -0.289857D+01 -0.290983D+02  0.850562D+01
                56            57            58            59            60 
      1   0.451834D+00 -0.290440D+01  0.351900D+01 -0.378408D+02 -0.737383D+01
      2   0.590855D+01  0.521391D+00 -0.703927D+00  0.566183D+02  0.583328D+01
      3  -0.636039D+01  0.238301D+01 -0.281508D+01 -0.187776D+02  0.154056D+01
      4  -0.505311D+01  0.750529D+01  0.301973D+01 -0.148627D+02 -0.528757D+01
      5   0.154647D+01  0.516043D+01  0.235218D+01 -0.361282D+01 -0.143962D+01
      6  -0.327932D+01  0.288186D+01 -0.381454D+01  0.138010D+02  0.147270D+02
                61            62            63            64            65 
      1  -0.211524D+01 -0.113974D+02 -0.118375D+02 -0.308504D-01  0.770357D+00
      2  -0.260272D+01  0.193861D+02  0.322358D+01 -0.362197D+01 -0.104445D+01
      3   0.471796D+01 -0.798865D+01  0.861389D+01  0.365282D+01  0.274094D+00
      4   0.136718D+02 -0.124916D+02 -0.212792D+01  0.988858D+00  0.264472D+01
      5   0.507113D+01 -0.425438D+01 -0.307200D+01  0.124526D+01 -0.939906D+00
      6  -0.170574D+00  0.172513D+02  0.783158D+01 -0.349062D+01 -0.692329D+00
                66            67            68            69            70 
      1   0.201890D+01  0.581056D+00 -0.516584D+01  0.337927D+01  0.244252D+01
      2  -0.712191D+00 -0.899312D+00  0.398481D+01 -0.356886D+01 -0.664299D+00
      3  -0.130671D+01  0.318255D+00  0.118103D+01  0.189589D+00 -0.177822D+01
      4  -0.287274D+01  0.247522D+01 -0.175588D+01  0.137457D+01 -0.415629D+01
      5   0.739416D+01  0.401904D-01  0.127567D+01 -0.440231D+00  0.472656D+01
      6   0.118284D+01 -0.225889D+00 -0.384065D+01  0.823792D+01 -0.305941D+00
                71            72            73            74            75 
      1   0.594308D+01 -0.195051D+02  0.231216D+02 -0.254313D+02  0.933530D+01
      2  -0.518875D+01 -0.144513D+02 -0.128883D+02  0.121708D+02 -0.881496D+01
      3  -0.754334D+00  0.339565D+02 -0.102333D+02  0.132605D+02 -0.520338D+00
      4   0.330930D+01 -0.858846D+00 -0.307382D+02  0.954004D+01  0.323629D+00
      5  -0.151843D+01  0.126750D+02  0.154843D+02  0.104453D+01  0.972303D+01
      6   0.798293D+01 -0.278404D+02 -0.309019D+01  0.104450D+01 -0.292666D+01
                76            77            78            79            80 
      1  -0.450696D+02 -0.647246D+01  0.184757D+01  0.271812D+02  0.216370D+01
      2   0.251125D+02  0.941961D+01 -0.187585D+00 -0.169343D+02 -0.148719D+01
      3   0.199571D+02 -0.294715D+01 -0.165998D+01 -0.102470D+02 -0.676510D+00
      4   0.937257D+01 -0.199282D+02  0.678772D+01 -0.303449D+01  0.992645D+01
      5  -0.854337D+00  0.720706D+01 -0.694982D+01  0.172054D+02 -0.476992D+01
      6   0.706775D+00 -0.188566D+01  0.764724D+01 -0.262739D+01  0.594992D+01
                81            82            83            84            85 
      1   0.218236D+01  0.372363D+01 -0.150134D+01 -0.450394D+01 -0.109996D+01
      2  -0.959551D+01 -0.510549D+01  0.652309D+00  0.301418D+01  0.431932D+00
      3   0.741315D+01  0.138186D+01  0.849032D+00  0.148976D+01  0.668031D+00
      4  -0.500570D+01 -0.143218D+01  0.147099D+01  0.193634D+00  0.168104D+01
      5   0.799241D+01 -0.465136D+01 -0.454694D+00  0.812908D+01 -0.708599D+00
      6  -0.156728D+01  0.275333D+00 -0.203841D-01  0.367027D+00 -0.120420D+01
                86            87            88            89            90 
      1  -0.408029D+01  0.285333D+00 -0.773593D+01  0.420218D-01 -0.154854D+02
      2   0.303299D+00  0.937101D+00  0.660310D+01  0.516256D+00 -0.184073D+02
      3   0.377700D+01 -0.122243D+01  0.113283D+01 -0.558278D+00  0.338927D+02
      4   0.207973D+01 -0.480872D+01  0.315015D-01 -0.610323D+01  0.131169D+01
      5  -0.487655D+01  0.236012D+01  0.894420D+01  0.169507D+01 -0.360224D+02
      6  -0.262533D+00  0.881548D+01 -0.111756D+00  0.527917D+01  0.158335D+01
                91            92            93            94            95 
      1   0.597735D+00 -0.405015D+00  0.213335D+01 -0.392396D+00 -0.244292D+01
      2  -0.323089D+01  0.926524D+00 -0.955424D+00  0.765331D+00 -0.852904D+00
      3   0.263315D+01 -0.521509D+00 -0.117793D+01 -0.372935D+00  0.329582D+01
      4   0.116142D+00  0.295226D+01  0.155726D+01  0.352094D+01  0.348322D+00
      5   0.205272D+01 -0.829585D-01  0.678689D+01 -0.419764D+00  0.142341D+01
      6   0.181794D+01 -0.207534D+00 -0.555331D+00  0.255324D+00  0.143184D+01
                96            97            98            99           100 
      1  -0.801206D+00  0.263633D+01 -0.218665D+01 -0.196373D+02  0.295040D+02
      2   0.250804D+01 -0.238244D+01  0.332369D+01 -0.180033D+02 -0.122429D+02
      3  -0.170683D+01 -0.253894D+00 -0.113704D+01  0.376405D+02 -0.172611D+02
      4   0.170603D+01  0.305428D+01  0.323205D+01  0.863371D+00  0.242249D+02
      5  -0.850564D+00  0.589998D+01  0.534992D+00  0.145756D+02 -0.444868D+01
      6   0.719462D+01  0.818372D+00  0.534189D+01  0.159994D+02 -0.337422D+01
               101           102           103           104           105 
      1  -0.349263D+01 -0.194978D+01  0.508656D+00  0.166317D+02  0.649147D+01
      2   0.118450D+02  0.377149D+01  0.457305D+01 -0.178701D+02 -0.680233D+01
      3  -0.835232D+01 -0.182171D+01 -0.508171D+01  0.123844D+01  0.310863D+00
      4   0.257997D+02 -0.254738D+01  0.212343D+02 -0.336157D+01 -0.469345D+01
      5  -0.784342D+00  0.125189D+02 -0.112608D+01 -0.682072D+01  0.880938D+00
      6  -0.364130D+00  0.395768D+01 -0.579995D+00 -0.964642D+01  0.689900D+01
               106           107           108           109           110 
      1  -0.726830D+01  0.813892D+01 -0.163930D+01 -0.170423D+02 -0.132121D+02
      2   0.282660D+01 -0.132118D+02 -0.556512D+01  0.133843D+02  0.591658D+01
      3   0.444170D+01  0.507286D+01  0.720442D+01  0.365795D+01  0.729549D+01
      4  -0.807822D+01 -0.119041D+02  0.475044D+01 -0.150900D+02  0.149061D+01
      5   0.106149D+02  0.275791D+01 -0.348028D+01  0.139179D+02 -0.332974D+01
      6   0.587809D+01  0.678266D+01 -0.475464D+01 -0.826461D+01  0.517591D+01
               111           112           113           114           115 
      1   0.289414D+01 -0.351308D+02  0.132004D+02  0.217642D+01  0.235437D+02
      2  -0.570860D+01  0.266994D+02 -0.353721D+02 -0.961111D+01 -0.101049D+02
      3   0.281446D+01  0.843132D+01  0.221717D+02  0.743470D+01 -0.134387D+02
      4  -0.683570D+01 -0.902905D+01  0.407978D+02  0.779307D+01 -0.223321D+01
      5  -0.318413D+01  0.212962D+01  0.806455D+01 -0.633937D+01 -0.212513D+01
      6  -0.583907D+01  0.813054D+00 -0.525104D+01 -0.107969D+01  0.777682D+00
               116           117           118           119           120 
      1   0.164542D+01  0.203631D+02  0.292701D+01 -0.205980D+01 -0.259810D+01
      2  -0.724389D+01  0.725893D+01 -0.445086D+01  0.126068D+01  0.178166D+01
      3   0.559847D+01 -0.276220D+02  0.152385D+01  0.799120D+00  0.816446D+00
      4   0.109498D+02  0.765436D+01 -0.260859D+01  0.309459D+01  0.101171D+01
      5   0.742042D+01 -0.465681D+02 -0.315811D+01 -0.486499D+00  0.100646D+02
      6  -0.450848D+01  0.229594D+02  0.133800D+01  0.316074D+00 -0.995050D+00
               121           122           123           124           125 
      1  -0.172497D+01 -0.449696D+01 -0.904438D+00 -0.545786D+01 -0.103753D+01
      2   0.561382D+00  0.138119D+01  0.137702D+01  0.721730D+01  0.809735D+00
      3   0.116359D+01  0.311578D+01 -0.472582D+00 -0.175944D+01  0.227790D+00
      4   0.342155D+01  0.494619D+00 -0.209197D+01  0.374266D+01 -0.303482D+01
      5   0.628985D-01 -0.304830D+01  0.673183D+00  0.868923D+01 -0.124118D+01
      6  -0.455798D+00  0.169467D+01  0.851444D+01 -0.150206D+01  0.601527D+01
               126           127           128           129           130 
      1  -0.198439D+02  0.219290D+02  0.368589D+01  0.297419D+00  0.696347D+01
      2  -0.172070D+02 -0.243728D+01  0.923678D+01  0.115199D+01  0.733559D+01
      3   0.370508D+02 -0.194917D+02 -0.129227D+02 -0.144941D+01 -0.142991D+02
      4  -0.168261D+01  0.260270D+02  0.322065D+02  0.146862D+01  0.324824D+02
      5  -0.256849D+02 -0.475502D+00  0.620230D+00  0.607090D+01  0.739135D+00
      6   0.126922D+02  0.652035D+00  0.841155D+00 -0.665256D+00  0.130254D+01
               131           132           133           134           135 
      1  -0.101317D+02  0.161636D+01 -0.511649D+00 -0.132893D+01 -0.974162D+00
      2   0.348318D+02  0.180469D+00  0.191423D+00  0.140019D+01  0.234639D+01
      3  -0.247001D+02 -0.179683D+01  0.320225D+00 -0.712672D-01 -0.137222D+01
      4   0.367302D+02  0.146947D+01  0.531028D+01  0.613500D+01 -0.390728D+01
      5   0.810005D+00  0.131134D+01  0.141468D+01 -0.159456D+01  0.274376D+02
      6  -0.109356D+01  0.836844D+01 -0.258890D+01  0.326770D+01  0.282699D+02
               136           137           138           139           140 
      1   0.473671D-01  0.874830D+00  0.382490D+01 -0.231635D+00 -0.352010D+01
      2  -0.280157D+01 -0.164902D+00 -0.137987D+01  0.123510D+01  0.163553D+01
      3   0.275421D+01 -0.709928D+00 -0.244503D+01 -0.100347D+01  0.188457D+01
      4   0.153946D+01  0.464339D+01  0.328774D+01  0.506142D+01  0.160992D+01
      5   0.378698D+01  0.696002D+00  0.840667D+01 -0.307916D+00  0.285271D+01
      6   0.363214D+01 -0.174323D+00  0.352173D+00  0.314396D-01  0.383623D+01
               141           142           143           144           145 
      1  -0.247827D+01  0.322648D+01 -0.451499D+01 -0.207062D+02  0.105569D+02
      2   0.355615D+01 -0.393670D+01  0.240423D+01 -0.157267D+02  0.745776D+01
      3  -0.107787D+01  0.710226D+00  0.211076D+01  0.364329D+02 -0.180146D+02
      4   0.216648D+01  0.651109D+01  0.621163D+01  0.388711D+01 -0.349644D+02
      5  -0.880619D+00  0.910472D+01  0.414193D+01  0.276997D+02  0.671674D+00
      6   0.808880D+01  0.333303D+01  0.947702D+01  0.275682D+02 -0.438433D+01
               146           147           148           149           150 
      1   0.212846D+01  0.239367D+01 -0.108733D+01 -0.256458D+01  0.152097D+00
      2  -0.170328D+02  0.813508D+00 -0.806374D+01  0.135618D+02 -0.209507D+01
      3   0.149043D+02 -0.320718D+01  0.915107D+01 -0.109972D+02  0.194297D+01
      4   0.262418D+02 -0.432672D+01  0.187294D+02 -0.159468D+02  0.223589D+01
      5   0.808824D-01  0.367944D+01  0.430808D+00  0.678743D+00 -0.276588D+01
      6   0.154244D+01 -0.723058D+01  0.151541D+01 -0.134883D+01  0.413089D+01
               151           152           153           154           155 
      1   0.207128D+01  0.118326D+01  0.118484D+00  0.579292D+02  0.171909D+02
      2   0.196067D+01 -0.495370D+01  0.160651D+01 -0.316997D+02 -0.988266D+01
      3  -0.403196D+01  0.377044D+01 -0.172499D+01 -0.262295D+02 -0.730825D+01
      4  -0.909515D+01  0.657126D+01 -0.487370D+01  0.116641D+02  0.129345D+02
      5   0.340437D+01 -0.209556D+01  0.150567D+01 -0.226352D+01 -0.132310D+01
      6  -0.455434D+01  0.448176D+01 -0.144514D+01  0.136866D+01  0.130874D+01
               156           157           158           159           160 
      1  -0.442277D+01  0.337091D+02  0.120903D+02 -0.220304D+01 -0.128940D+02
      2   0.151366D+01 -0.190494D+02 -0.538765D+01  0.792839D+00  0.754774D+01
      3   0.290911D+01 -0.146597D+02 -0.670261D+01  0.141020D+01  0.534623D+01
      4  -0.139523D+01  0.116903D+02  0.121551D+02 -0.243191D+01 -0.303247D+01
      5   0.873459D+01 -0.158661D+01 -0.251874D+01  0.516614D+01  0.734249D+01
      6  -0.352752D+00  0.105678D+01  0.631398D+00 -0.271577D+00  0.127337D-01
               161           162           163           164           165 
      1  -0.420249D+01  0.565484D+01 -0.625896D+00  0.421652D+01  0.115810D+01
      2   0.243526D+01 -0.372154D+01  0.246215D+01 -0.453155D+01 -0.104118D+01
      3   0.176723D+01 -0.193329D+01 -0.183626D+01  0.315028D+00 -0.116925D+00
      4  -0.356505D+01  0.171681D+01 -0.618903D+00  0.122882D+01  0.671569D+00
      5   0.234522D+01 -0.143872D+01  0.308118D+00 -0.337517D+00 -0.201199D+00
      6   0.766185D+00 -0.665629D+00  0.131835D+01 -0.802936D+00  0.186946D+00
               166           167           168           169           170 
      1   0.540360D+01 -0.277145D+02 -0.304492D+01  0.180434D+01 -0.731336D+01
      2  -0.136645D+00  0.475362D+02  0.548184D+01 -0.734943D+00  0.105058D+02
      3  -0.526696D+01 -0.198217D+02 -0.243692D+01 -0.106940D+01 -0.319240D+01
      4   0.921633D+01  0.296827D+02  0.291169D+01  0.174628D+01  0.685269D+01
      5   0.920208D-02  0.427516D+01  0.464436D+01  0.975121D+00  0.330866D+01
      6   0.168770D+00  0.571642D+01  0.672227D+01  0.570721D+00  0.662193D+01
               171           172           173           174           175 
      1  -0.320255D+01  0.875605D+02  0.408733D+01 -0.553895D+01  0.359466D+01
      2   0.438883D+01 -0.515899D+02 -0.111305D+01  0.748139D+01 -0.412299D+01
      3  -0.118628D+01 -0.359706D+02 -0.297429D+01 -0.194244D+01  0.528325D+00
      4   0.294513D+01 -0.406370D+01  0.162056D+02  0.300591D+01  0.262507D+02
      5   0.755461D+00 -0.124035D+02  0.134267D+01  0.169045D+02 -0.177089D+00
      6   0.240753D+01  0.361125D+01 -0.212398D+01  0.245217D+01 -0.142842D+01
               176           177           178           179           180 
      1   0.157717D+02  0.320946D+01 -0.235667D+02  0.492747D-01  0.701454D+01
      2  -0.232195D+01  0.128441D+01  0.144028D+02 -0.590944D+00 -0.138523D+02
      3  -0.134498D+02 -0.449386D+01  0.916390D+01  0.541670D+00  0.683772D+01
      4  -0.322909D+02 -0.455291D+01  0.134252D+01 -0.588741D+01 -0.130569D+01
      5  -0.514319D+01 -0.353900D+01  0.225899D+02  0.103368D+01 -0.777050D+01
      6   0.104295D+01  0.101425D+02 -0.233668D+01  0.516296D+01 -0.105332D+01
               181           182           183           184           185 
      1   0.388179D+01 -0.628988D+01 -0.327920D+01 -0.628873D+01 -0.209559D+02
      2   0.289335D+01  0.964043D+00  0.108149D+01 -0.473387D+01  0.502449D+02
      3  -0.677515D+01  0.532584D+01  0.219772D+01  0.110226D+02 -0.292890D+02
      4  -0.927077D+01  0.121591D+02  0.199618D+01  0.215631D+02 -0.558580D+02
      5  -0.294866D+01  0.702767D+00  0.312583D+01  0.613517D+00 -0.485876D+01
      6   0.211947D+01 -0.607117D+00 -0.127217D+01 -0.147257D+00  0.349628D+01
               186           187           188           189           190 
      1  -0.244873D+01 -0.581838D+01 -0.420859D+01 -0.423303D+01  0.103066D+01
      2   0.556843D+01  0.125650D+01  0.886599D+01  0.343577D+01 -0.431757D+01
      3  -0.311970D+01  0.456188D+01 -0.465740D+01  0.797267D+00  0.328692D+01
      4  -0.532384D+01  0.552030D+01 -0.112714D+02 -0.726881D+01  0.102428D+01
      5  -0.615676D+01  0.369292D+01 -0.730690D+01  0.815278D+00  0.580494D+01
      6   0.773754D+01 -0.206678D+01  0.836689D+01  0.223433D+01 -0.219799D+01
               191           192           193           194           195 
      1   0.136172D+01  0.790139D+01  0.561542D+01 -0.503557D+01  0.124304D+01
      2  -0.134175D+01 -0.379941D+01 -0.432345D+01  0.430905D+01 -0.228383D+01
      3  -0.199630D-01 -0.410198D+01 -0.129197D+01  0.726519D+00  0.104079D+01
      4   0.188792D+01 -0.241001D+01  0.139668D+01 -0.562092D+01  0.447038D+01
      5  -0.651127D+00  0.668801D+01 -0.209474D+00  0.477584D+01  0.267031D+01
      6  -0.915937D+00  0.941703D+00  0.256336D+00 -0.193676D+01  0.503345D+01
               196           197           198           199           200 
      1   0.105879D+02  0.484188D+01 -0.236306D+02  0.306077D+01  0.103962D+01
      2  -0.751787D+01 -0.253327D+01 -0.147536D+02 -0.168870D+01  0.959963D+00
      3  -0.307004D+01 -0.230862D+01  0.383843D+02 -0.137207D+01 -0.199958D+01
      4  -0.502037D+01  0.748743D+01 -0.795442D+01  0.533171D+01  0.355367D+01
      5   0.107441D+02 -0.801202D+01  0.517389D+02 -0.360516D+01 -0.165419D+01
      6  -0.262347D+01  0.100357D+02 -0.251801D+02 -0.304123D+01 -0.116900D+01
               201           202           203           204           205 
      1  -0.290207D+01  0.143852D+01 -0.283593D+01  0.116997D+01 -0.638148D+01
      2   0.133741D+01  0.207608D+00  0.425225D+01 -0.297807D+01  0.328107D+01
      3   0.156466D+01 -0.164613D+01 -0.141632D+01  0.180810D+01  0.310041D+01
      4  -0.374463D+01  0.259838D+01  0.393761D+01 -0.299082D+01 -0.120761D+02
      5   0.488581D+01 -0.796898D+00 -0.244928D+01  0.280950D+01  0.111818D+02
      6   0.309775D+01 -0.122386D+01 -0.304016D+01  0.421526D+01  0.924620D+01
               206           207           208           209           210 
      1   0.499841D+01 -0.517189D+01 -0.185984D+01  0.694957D+01  0.118891D+01
      2  -0.805761D+01 -0.370249D+01  0.284448D+01 -0.249193D+01 -0.321603D+00
      3   0.305920D+01  0.887438D+01 -0.984634D+00 -0.445764D+01 -0.867309D+00
      4  -0.136002D+02  0.128510D+02  0.741833D+01 -0.206568D+01 -0.394965D+00
      5   0.950425D+01 -0.314526D+02  0.521280D+00 -0.810108D+00  0.987889D+00
      6   0.121675D+02 -0.327362D+02 -0.240435D+00 -0.332507D+00  0.214911D+01
               211           212           213           214           215 
      1   0.316778D+02 -0.511435D+01 -0.187640D+01  0.204755D+01 -0.109663D+01
      2  -0.186789D+02  0.300404D+01  0.196179D+01 -0.114104D+01  0.626361D+00
      3  -0.129989D+02  0.211031D+01 -0.853891D-01 -0.906513D+00  0.470264D+00
      4  -0.584934D+01  0.405555D+02  0.341744D+00 -0.903723D+00  0.192798D+01
      5  -0.231153D+01  0.104478D+01  0.104536D+02  0.306548D+01  0.180247D+01
      6   0.107593D+01 -0.902887D+00 -0.272536D+01 -0.818746D-01  0.184559D+01
               216 
      1   0.131276D+01
      2  -0.105908D+01
      3  -0.253672D+00
      4   0.113121D+01
      5  -0.169977D+01
      6   0.276933D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 20:09:41 2022, MaxMem=  5368709120 cpu:           24049.9 elap:            3010.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17937 -19.17629 -19.17486 -19.17072 -19.16855
 Alpha  occ. eigenvalues --  -19.15318 -10.29874 -10.25138 -10.25114 -10.24959
 Alpha  occ. eigenvalues --  -10.24936 -10.23681  -1.10000  -1.06449  -1.05411
 Alpha  occ. eigenvalues --   -1.03584  -1.03484  -1.02744  -0.80518  -0.78501
 Alpha  occ. eigenvalues --   -0.69979  -0.66705  -0.63932  -0.60907  -0.56769
 Alpha  occ. eigenvalues --   -0.55937  -0.53651  -0.52197  -0.51307  -0.50464
 Alpha  occ. eigenvalues --   -0.48424  -0.46427  -0.45630  -0.43906  -0.42545
 Alpha  occ. eigenvalues --   -0.41053  -0.39461  -0.38996  -0.38209  -0.37505
 Alpha  occ. eigenvalues --   -0.35992  -0.33759  -0.33131  -0.30961  -0.30351
 Alpha  occ. eigenvalues --   -0.29850  -0.28875  -0.27561
 Alpha virt. eigenvalues --   -0.01347  -0.00776  -0.00009   0.00238   0.01801
 Alpha virt. eigenvalues --    0.02120   0.02803   0.03066   0.03509   0.04606
 Alpha virt. eigenvalues --    0.05692   0.05896   0.06440   0.07347   0.07411
 Alpha virt. eigenvalues --    0.08263   0.08337   0.08639   0.09277   0.09362
 Alpha virt. eigenvalues --    0.10150   0.10579   0.10766   0.11087   0.11579
 Alpha virt. eigenvalues --    0.11807   0.12161   0.12295   0.12965   0.13403
 Alpha virt. eigenvalues --    0.13459   0.13787   0.14027   0.14575   0.15909
 Alpha virt. eigenvalues --    0.15955   0.16188   0.16986   0.17258   0.17842
 Alpha virt. eigenvalues --    0.18365   0.19003   0.19481   0.20033   0.20959
 Alpha virt. eigenvalues --    0.21345   0.22050   0.22381   0.22745   0.22916
 Alpha virt. eigenvalues --    0.23182   0.23607   0.23656   0.24547   0.24655
 Alpha virt. eigenvalues --    0.25477   0.25827   0.26032   0.26508   0.26763
 Alpha virt. eigenvalues --    0.27139   0.27591   0.27794   0.28299   0.28423
 Alpha virt. eigenvalues --    0.28985   0.29353   0.30203   0.30740   0.31113
 Alpha virt. eigenvalues --    0.31836   0.32192   0.32815   0.33323   0.34041
 Alpha virt. eigenvalues --    0.34554   0.35301   0.35663   0.35736   0.36692
 Alpha virt. eigenvalues --    0.36863   0.37533   0.38096   0.38459   0.38796
 Alpha virt. eigenvalues --    0.39911   0.40378   0.41455   0.41906   0.42474
 Alpha virt. eigenvalues --    0.42719   0.43046   0.43937   0.44442   0.45774
 Alpha virt. eigenvalues --    0.47488   0.47596   0.48656   0.49313   0.50328
 Alpha virt. eigenvalues --    0.50788   0.51133   0.52409   0.52532   0.53024
 Alpha virt. eigenvalues --    0.53463   0.54252   0.55482   0.56198   0.56880
 Alpha virt. eigenvalues --    0.57421   0.58318   0.59118   0.59137   0.60668
 Alpha virt. eigenvalues --    0.61004   0.61298   0.62854   0.63419   0.63570
 Alpha virt. eigenvalues --    0.64206   0.64866   0.66326   0.66441   0.67578
 Alpha virt. eigenvalues --    0.68407   0.68436   0.69369   0.69870   0.70859
 Alpha virt. eigenvalues --    0.70956   0.71621   0.71829   0.72797   0.73700
 Alpha virt. eigenvalues --    0.75234   0.75857   0.76366   0.77332   0.78630
 Alpha virt. eigenvalues --    0.79081   0.79429   0.80071   0.80521   0.81652
 Alpha virt. eigenvalues --    0.82501   0.82728   0.84711   0.86131   0.86309
 Alpha virt. eigenvalues --    0.87133   0.88134   0.89489   0.90062   0.91583
 Alpha virt. eigenvalues --    0.92117   0.92558   0.94872   0.96336   0.96817
 Alpha virt. eigenvalues --    0.97770   0.99584   1.00172   1.02069   1.04415
 Alpha virt. eigenvalues --    1.04671   1.04961   1.06284   1.06974   1.08202
 Alpha virt. eigenvalues --    1.08493   1.10725   1.11513   1.11623   1.12491
 Alpha virt. eigenvalues --    1.13282   1.14325   1.15363   1.16736   1.18746
 Alpha virt. eigenvalues --    1.19999   1.21007   1.21204   1.21663   1.23197
 Alpha virt. eigenvalues --    1.24252   1.26264   1.28376   1.29435   1.29765
 Alpha virt. eigenvalues --    1.32034   1.33619   1.34592   1.35673   1.38832
 Alpha virt. eigenvalues --    1.39983   1.41425   1.41785   1.43661   1.45129
 Alpha virt. eigenvalues --    1.45881   1.48032   1.48703   1.50526   1.51630
 Alpha virt. eigenvalues --    1.52933   1.54234   1.56687   1.57483   1.58801
 Alpha virt. eigenvalues --    1.59377   1.59852   1.62608   1.63600   1.64093
 Alpha virt. eigenvalues --    1.65169   1.66653   1.67236   1.70417   1.70929
 Alpha virt. eigenvalues --    1.72482   1.74348   1.75251   1.77051   1.78213
 Alpha virt. eigenvalues --    1.79346   1.81049   1.82749   1.83811   1.85058
 Alpha virt. eigenvalues --    1.85978   1.88294   1.88641   1.90054   1.90567
 Alpha virt. eigenvalues --    1.91463   1.92856   1.93728   1.95679   1.96903
 Alpha virt. eigenvalues --    1.98318   1.98949   2.00286   2.01680   2.02858
 Alpha virt. eigenvalues --    2.04579   2.05322   2.06435   2.08303   2.09128
 Alpha virt. eigenvalues --    2.10348   2.12195   2.12969   2.16487   2.16864
 Alpha virt. eigenvalues --    2.18456   2.20342   2.21396   2.23029   2.23958
 Alpha virt. eigenvalues --    2.25520   2.26444   2.28255   2.28485   2.31310
 Alpha virt. eigenvalues --    2.31607   2.33638   2.35523   2.38816   2.39818
 Alpha virt. eigenvalues --    2.41450   2.42086   2.45293   2.46330   2.46930
 Alpha virt. eigenvalues --    2.49383   2.52487   2.53169   2.54919   2.57189
 Alpha virt. eigenvalues --    2.58412   2.59414   2.61074   2.64016   2.67184
 Alpha virt. eigenvalues --    2.67829   2.69726   2.70597   2.73682   2.74196
 Alpha virt. eigenvalues --    2.77229   2.81472   2.81562   2.84853   2.86653
 Alpha virt. eigenvalues --    2.97879   3.02732   3.07792   3.10366   3.16051
 Alpha virt. eigenvalues --    3.19055   3.23968   3.31776   3.39037   3.41148
 Alpha virt. eigenvalues --    3.41744   3.41898   3.43202   3.43906   3.44627
 Alpha virt. eigenvalues --    3.46480   3.47534   3.48409   3.48471   3.49866
 Alpha virt. eigenvalues --    3.50187   3.52652   3.53243   3.53760   3.55644
 Alpha virt. eigenvalues --    3.58199   3.59452   3.63420   3.68258   3.69123
 Alpha virt. eigenvalues --    3.74512   3.79549   3.82836   3.86066   3.95425
 Alpha virt. eigenvalues --    3.99619   3.99818   4.04618   4.05604   4.10276
 Alpha virt. eigenvalues --    4.30286
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.141491  -1.681993  -1.539985  -0.002042  -0.096240   0.232100
     2  C   -1.681993   9.478274  -1.547094   0.632056   0.213216  -1.547032
     3  C   -1.539985  -1.547094  12.053755  -3.813411   0.316586   0.542639
     4  C   -0.002042   0.632056  -3.813411  11.031507  -0.928237  -0.816669
     5  O   -0.096240   0.213216   0.316586  -0.928237   9.251195   0.012471
     6  C    0.232100  -1.547032   0.542639  -0.816669   0.012471   6.904436
     7  O   -0.805003   0.308535   0.135157   0.117434  -0.000839  -0.042838
     8  H   -1.253368   0.625912  -0.270042   0.158881   0.002395  -0.302345
     9  O    0.183263  -0.789590   0.162839  -0.047808  -0.012553   0.228008
    10  H   -0.520282  -0.854236   0.203239  -0.082750  -0.023089   0.362579
    11  H    0.187023   0.011067  -1.147185   0.192727  -0.022345  -0.067209
    12  O    0.241753   0.054563  -0.885030   0.291224   0.002232  -0.006554
    13  C   -0.449848   0.174582  -0.067178  -0.622061   0.191384  -0.159738
    14  H    0.005587   0.170092   0.582095  -1.569977   0.068808   0.007453
    15  O   -0.076198   0.119276  -0.011400   0.016617  -0.075212   0.027585
    16  H    0.032552  -0.257079   0.215078   0.058996  -0.031053  -0.460834
    17  H    0.202233  -0.131640  -0.010821  -0.009224  -0.002527   0.020694
    18  H   -0.011597   0.204676  -0.036321   0.014353   0.002206  -0.130162
    19  H   -0.084442  -0.018067   0.213446  -0.078086   0.000981   0.002219
    20  O    0.015468   0.012573   0.022183  -0.105236   0.054297  -0.024634
    21  H   -0.004475  -0.046738   0.017871   0.732832  -0.143219   0.027893
    22  H    0.047194   0.044443  -0.129851  -0.071391  -0.022300  -0.032594
    23  H    0.053503  -0.078048   0.012563   0.012321   0.003606  -0.123902
    24  H   -0.026927   0.003387   0.008119  -0.010860   0.000015   0.003253
               7          8          9         10         11         12
     1  C   -0.805003  -1.253368   0.183263  -0.520282   0.187023   0.241753
     2  C    0.308535   0.625912  -0.789590  -0.854236   0.011067   0.054563
     3  C    0.135157  -0.270042   0.162839   0.203239  -1.147185  -0.885030
     4  C    0.117434   0.158881  -0.047808  -0.082750   0.192727   0.291224
     5  O   -0.000839   0.002395  -0.012553  -0.023089  -0.022345   0.002232
     6  C   -0.042838  -0.302345   0.228008   0.362579  -0.067209  -0.006554
     7  O    8.750917  -0.029960  -0.019325   0.047277  -0.009877  -0.021067
     8  H   -0.029960   2.386006  -0.044772   0.094119   0.094182   0.039894
     9  O   -0.019325  -0.044772   8.710198  -0.012298  -0.002862  -0.006255
    10  H    0.047277   0.094119  -0.012298   2.248548   0.040431   0.009400
    11  H   -0.009877   0.094182  -0.002862   0.040431   2.349422   0.000830
    12  O   -0.021067   0.039894  -0.006255   0.009400   0.000830   8.683814
    13  C   -0.001883   0.103238   0.000096   0.058769  -0.093184   0.015059
    14  H   -0.013320   0.002937  -0.020284  -0.003717   0.089932  -0.039470
    15  O    0.001522   0.000227   0.001228  -0.010886   0.002924   0.000680
    16  H   -0.000490  -0.008361   0.038202   0.095377  -0.000027  -0.012113
    17  H    0.251756  -0.109152   0.014995  -0.021857  -0.000293   0.003664
    18  H    0.003847   0.007716   0.247165  -0.086654  -0.002720   0.000570
    19  H    0.013368  -0.011707   0.000624  -0.000826  -0.078198   0.279615
    20  O    0.000397  -0.001942  -0.000069   0.001718  -0.007765  -0.004313
    21  H    0.000882   0.003248   0.001287  -0.004272   0.024719  -0.007003
    22  H   -0.003468   0.003478  -0.001410   0.006528  -0.033578   0.018941
    23  H   -0.002423  -0.000533   0.007245   0.002011  -0.000751  -0.000600
    24  H   -0.000245   0.002366   0.000052   0.000831  -0.000473   0.025640
              13         14         15         16         17         18
     1  C   -0.449848   0.005587  -0.076198   0.032552   0.202233  -0.011597
     2  C    0.174582   0.170092   0.119276  -0.257079  -0.131640   0.204676
     3  C   -0.067178   0.582095  -0.011400   0.215078  -0.010821  -0.036321
     4  C   -0.622061  -1.569977   0.016617   0.058996  -0.009224   0.014353
     5  O    0.191384   0.068808  -0.075212  -0.031053  -0.002527   0.002206
     6  C   -0.159738   0.007453   0.027585  -0.460834   0.020694  -0.130162
     7  O   -0.001883  -0.013320   0.001522  -0.000490   0.251756   0.003847
     8  H    0.103238   0.002937   0.000227  -0.008361  -0.109152   0.007716
     9  O    0.000096  -0.020284   0.001228   0.038202   0.014995   0.247165
    10  H    0.058769  -0.003717  -0.010886   0.095377  -0.021857  -0.086654
    11  H   -0.093184   0.089932   0.002924  -0.000027  -0.000293  -0.002720
    12  O    0.015059  -0.039470   0.000680  -0.012113   0.003664   0.000570
    13  C    6.020410  -0.253973   0.005144   0.027710  -0.006667   0.000433
    14  H   -0.253973   2.729535  -0.002524  -0.056661  -0.000061   0.003263
    15  O    0.005144  -0.002524   8.469382  -0.195089  -0.000174   0.016614
    16  H    0.027710  -0.056661  -0.195089   2.006525  -0.001464  -0.025203
    17  H   -0.006667  -0.000061  -0.000174  -0.001464   0.663518  -0.001919
    18  H    0.000433   0.003263   0.016614  -0.025203  -0.001919   0.659821
    19  H    0.005193  -0.000493  -0.000312   0.001091  -0.002039  -0.000263
    20  O   -0.012052   0.008293   0.000802   0.000499   0.000087   0.000004
    21  H   -0.459713  -0.178268  -0.001191   0.002339  -0.000141  -0.000331
    22  H    0.140601   0.130793  -0.002168  -0.000924   0.000404   0.000393
    23  H   -0.004508  -0.000719   0.275440   0.040505   0.000214   0.001046
    24  H   -0.014058   0.012357   0.000306  -0.001291  -0.000192  -0.000019
              19         20         21         22         23         24
     1  C   -0.084442   0.015468  -0.004475   0.047194   0.053503  -0.026927
     2  C   -0.018067   0.012573  -0.046738   0.044443  -0.078048   0.003387
     3  C    0.213446   0.022183   0.017871  -0.129851   0.012563   0.008119
     4  C   -0.078086  -0.105236   0.732832  -0.071391   0.012321  -0.010860
     5  O    0.000981   0.054297  -0.143219  -0.022300   0.003606   0.000015
     6  C    0.002219  -0.024634   0.027893  -0.032594  -0.123902   0.003253
     7  O    0.013368   0.000397   0.000882  -0.003468  -0.002423  -0.000245
     8  H   -0.011707  -0.001942   0.003248   0.003478  -0.000533   0.002366
     9  O    0.000624  -0.000069   0.001287  -0.001410   0.007245   0.000052
    10  H   -0.000826   0.001718  -0.004272   0.006528   0.002011   0.000831
    11  H   -0.078198  -0.007765   0.024719  -0.033578  -0.000751  -0.000473
    12  O    0.279615  -0.004313  -0.007003   0.018941  -0.000600   0.025640
    13  C    0.005193  -0.012052  -0.459713   0.140601  -0.004508  -0.014058
    14  H   -0.000493   0.008293  -0.178268   0.130793  -0.000719   0.012357
    15  O   -0.000312   0.000802  -0.001191  -0.002168   0.275440   0.000306
    16  H    0.001091   0.000499   0.002339  -0.000924   0.040505  -0.001291
    17  H   -0.002039   0.000087  -0.000141   0.000404   0.000214  -0.000192
    18  H   -0.000263   0.000004  -0.000331   0.000393   0.001046  -0.000019
    19  H    0.614708  -0.001336   0.001926  -0.002939   0.000290  -0.003063
    20  O   -0.001336   8.547054  -0.195813   0.002785  -0.000458   0.241446
    21  H    0.001926  -0.195813   2.153737  -0.523748   0.002140   0.020147
    22  H   -0.002939   0.002785  -0.523748   1.856760   0.000267  -0.050420
    23  H    0.000290  -0.000458   0.002140   0.000267   0.702139  -0.000153
    24  H   -0.003063   0.241446   0.020147  -0.050420  -0.000153   0.643463
 Mulliken charges:
               1
     1  C    1.210234
     2  C    0.898866
     3  C    0.972746
     4  C    0.898801
     5  O   -0.761778
     6  C    1.343183
     7  O   -0.680353
     8  H   -0.492418
     9  O   -0.637977
    10  H   -0.549958
    11  H   -0.526792
    12  O   -0.685474
    13  C    1.402244
    14  H   -0.671677
    15  O   -0.562594
    16  H   -0.468285
    17  H    0.140607
    18  H    0.133084
    19  H    0.148309
    20  O   -0.553990
    21  H   -0.424109
    22  H   -0.377794
    23  H    0.098806
    24  H    0.146319
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.717816
     2  C    0.348908
     3  C    0.445954
     4  C    0.227124
     5  O   -0.761778
     6  C    0.874898
     7  O   -0.539746
     9  O   -0.504893
    12  O   -0.537165
    13  C    0.600340
    15  O   -0.463788
    20  O   -0.407670
 Electronic spatial extent (au):  <R**2>=           2209.7826
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.9342    Y=              1.6260    Z=              2.0456  Tot=              4.7230
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.1079   YY=            -74.7061   ZZ=            -69.7966
   XY=              3.0656   XZ=             -1.0696   YZ=             -2.8739
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.9043   YY=              0.4974   ZZ=              5.4069
   XY=              3.0656   XZ=             -1.0696   YZ=             -2.8739
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -90.6711  YYY=             31.6235  ZZZ=              3.4882  XYY=              7.9302
  XXY=             14.4424  XXZ=             27.6014  XZZ=             -6.7495  YZZ=             -7.3739
  YYZ=              2.5391  XYZ=              9.3608
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1801.6059 YYYY=           -894.5462 ZZZZ=           -145.9529 XXXY=             81.8218
 XXXZ=            -11.7077 YYYX=            -22.5254 YYYZ=            -26.7393 ZZZX=             -5.6972
 ZZZY=             -6.5424 XXYY=           -400.0068 XXZZ=           -300.2817 YYZZ=           -171.7973
 XXYZ=            -20.1047 YYXZ=             -9.8770 ZZXY=             18.6539
 N-N= 8.271274945161D+02 E-N=-3.266469499939D+03  KE= 6.833887757382D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 20:09:41 2022, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.56801257D+00 6.79142439D-01 8.16141619D-01
 Polarizability= 1.30500200D+02 2.10358955D+00 1.20334435D+02
                -1.10464890D+00-1.72682906D+00 1.08070825D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3453    0.3464        0.7309    0.7284
 2     -0.3453   -0.3464        0.8894    0.8905       -6.0996   -6.0994
 3     -0.7309   -0.7284       14.4866   14.4821       -0.8898   -0.8905
 4     -0.8894   -0.8905       -0.0000    0.0000       -0.7294   -0.7284
 5     -8.3870   -8.3827        0.7294    0.7284        0.3461    0.3464
 6      0.8898    0.8905       -0.3461   -0.3464        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0391   -1.0391        2.1852    2.1852
 2     -2.6714   -2.6714        0.0000    0.0000        2.1852    2.1852
 3     -2.6714   -2.6714       -1.0391   -1.0391        0.0000    0.0000
 4     -1.0391   -1.0391        2.6714    2.6714      -18.2982  -18.2982
 5     -2.1852   -2.1852       43.4464   43.4464       -2.6714   -2.6714
 6    -25.1482  -25.1482        2.1852    2.1852        1.0391    1.0391
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0890    0.0000       -1.5799   -1.3855       -2.9810   -2.9135
 2      1.2532    1.3855       -3.4527   -3.5619       24.0794   24.3976
 3      2.7485    2.9135      -57.7740  -57.9285        3.4773    3.5619
 4      3.4375    3.5619       -0.1048    0.0000        3.0550    2.9135
 5     33.4326   33.5309       -3.0927   -2.9135       -1.1546   -1.3855
 6     -3.7584   -3.5619        1.2511    1.3855       -0.3100    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1005    0.0000       -2.0788   -2.0902        8.4830    8.4136
 2      2.1912    2.0902       -7.3126   -7.1841       -2.9613   -2.8870
 3     -8.6804   -8.4136        8.7942    8.7275        7.3850    7.1841
 4      7.2798    7.1841        0.0090    0.0000       -8.4765   -8.4136
 5     -5.5950   -5.8405        8.7227    8.4136       -2.1467   -2.0902
 6     -7.1713   -7.1841        2.0600    2.0902       -0.0392    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -19.3087  -19.5377       10.9146   10.8846      -24.3507  -24.1573
 2    -15.8122  -15.9039       10.8222   10.7659      -24.3652  -24.1573
 3    -15.6869  -15.9039       10.9212   10.8846      -31.5880  -31.2536
 4      0.1500    0.1186       -3.7225   -3.6337       -0.5566   -0.5450
 5     -7.0416   -7.0963       12.2694   11.9563        3.8070    3.6337
 6    -10.8789  -11.4113        7.1153    7.0963        0.0761   -0.1186
 Full mass-weighted force constant matrix:
 Low frequencies ---  -14.8968   -7.1588   -4.5336   -0.0003   -0.0002    0.0006
 Low frequencies ---   66.2390  102.0397  114.0316
 Diagonal vibrational polarizability:
      130.5383602      93.9725189     177.3069367
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     66.2188               102.0346               114.0311
 Red. masses --      7.0788                 5.2037                 4.9005
 Frc consts  --      0.0183                 0.0319                 0.0375
 IR Inten    --      1.1324                 1.6333                 7.2835
 RamAct Fr= 1--      0.0330                 0.0721                 0.0106
  Dep-P Fr= 1--      0.7500                 0.7442                 0.2723
  Dep-U Fr= 1--      0.8571                 0.8533                 0.4281
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0047                 0.0103                 0.0008
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0002
 Gamma2 Fr= 1--      0.0089                 0.1137                 0.0376
 Delta2 Fr= 1--      0.0228                 0.0610                 0.0148
 Raman1 Fr= 1--       0.132                  0.288                  0.042
 ROA1   Fr= 1--       1.589                 12.867                  4.084
 CID1   Fr= 1--      12.049                 44.610                 96.550
 Raman2 Fr= 1--       0.057                  0.123                  0.009
 ROA2   Fr= 1--       0.032                  2.240                  0.785
 CID2   Fr= 1--       0.563                 18.203                 86.664
 Raman3 Fr= 1--       0.113                  0.246                  0.018
 ROA3   Fr= 1--       1.589                 12.867                  4.084
 CID3   Fr= 1--      14.058                 52.279                225.554
 RC180  Fr= 1--       0.714                  0.707                 -0.144
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.02     0.03  -0.04  -0.09     0.01   0.01   0.03
     2   6     0.03  -0.01   0.09     0.03   0.01   0.02    -0.02   0.01  -0.07
     3   6     0.02   0.01  -0.14    -0.03  -0.05   0.04     0.02  -0.03  -0.06
     4   6     0.02  -0.02  -0.08     0.00   0.01  -0.10    -0.02  -0.02  -0.11
     5   8    -0.00  -0.02  -0.14     0.01  -0.05  -0.18    -0.00  -0.01  -0.05
     6   6    -0.01   0.04  -0.07    -0.05  -0.01  -0.01    -0.04  -0.03   0.03
     7   8     0.04  -0.00  -0.01     0.02   0.04  -0.27     0.06  -0.06   0.21
     8   1    -0.13  -0.02  -0.02     0.08  -0.17  -0.10    -0.02   0.14   0.05
     9   8    -0.06   0.02   0.32    -0.02   0.02   0.13     0.04   0.01  -0.21
    10   1     0.21  -0.09   0.10     0.13   0.03   0.02    -0.13   0.05  -0.07
    11   1     0.12   0.09  -0.14    -0.16  -0.19   0.04     0.09  -0.07  -0.06
    12   8    -0.02  -0.01  -0.30     0.02   0.02   0.28    -0.02  -0.00  -0.10
    13   6    -0.04  -0.02   0.09    -0.01  -0.05  -0.13    -0.02  -0.07  -0.14
    14   1     0.12  -0.04  -0.07     0.01   0.12  -0.10    -0.07  -0.01  -0.11
    15   8    -0.00  -0.00  -0.15    -0.01   0.01   0.15    -0.01   0.02   0.23
    16   1    -0.05   0.15  -0.08    -0.21  -0.04  -0.01    -0.14  -0.15   0.03
    17   1    -0.02  -0.03   0.11    -0.01  -0.05  -0.25     0.12   0.08   0.17
    18   1     0.00  -0.04   0.33    -0.01   0.05   0.23    -0.02   0.10  -0.18
    19   1     0.03  -0.00  -0.29    -0.11  -0.00   0.24    -0.02  -0.02  -0.06
    20   8     0.05   0.04   0.35     0.01   0.09   0.09     0.00   0.15   0.18
    21   1     0.03  -0.00   0.03     0.04   0.01  -0.33     0.08   0.01  -0.40
    22   1    -0.24  -0.11   0.10    -0.09  -0.27  -0.12    -0.16  -0.36  -0.12
    23   1     0.09  -0.15  -0.14     0.16   0.02   0.16     0.03   0.18   0.23
    24   1    -0.05   0.03   0.25    -0.03   0.07   0.25    -0.15   0.12   0.23
                      4                      5                      6
                      A                      A                      A
 Frequencies --    163.3489               184.5620               208.7790
 Red. masses --      3.3684                 1.7177                 3.0193
 Frc consts  --      0.0530                 0.0345                 0.0775
 IR Inten    --     22.0049               110.3395                10.8318
 RamAct Fr= 1--      0.2559                 0.5421                 0.3032
  Dep-P Fr= 1--      0.5703                 0.7492                 0.7042
  Dep-U Fr= 1--      0.7263                 0.8566                 0.8264
 Alpha2 Fr= 1--      0.0009                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0310                 0.0774                 0.0418
 AlphaG Fr= 1--     -0.0016                 0.0002                -0.0011
 Gamma2 Fr= 1--      0.0528                -0.0804                 0.0162
 Delta2 Fr= 1--     -0.0326                 0.0479                 0.0426
 Raman1 Fr= 1--       1.024                  2.168                  1.213
 ROA1   Fr= 1--       4.023                 -6.190                  2.915
 CID1   Fr= 1--       3.930                 -2.854                  2.403
 Raman2 Fr= 1--       0.372                  0.929                  0.501
 ROA2   Fr= 1--       1.527                 -2.313                  0.048
 CID2   Fr= 1--       4.108                 -2.491                  0.095
 Raman3 Fr= 1--       0.743                  1.857                  1.002
 ROA3   Fr= 1--       4.023                 -6.190                  2.915
 CID3   Fr= 1--       5.411                 -3.332                  2.908
 RC180  Fr= 1--       0.453                  0.713                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05   0.02     0.03  -0.03   0.01     0.02  -0.02  -0.04
     2   6    -0.01   0.00   0.05     0.02  -0.02   0.00     0.02  -0.00  -0.04
     3   6     0.01  -0.06   0.03     0.03   0.01   0.02    -0.02  -0.07  -0.04
     4   6    -0.02  -0.08   0.05    -0.01  -0.01   0.03     0.01  -0.07   0.00
     5   8    -0.03  -0.02   0.16    -0.01   0.01   0.07    -0.01  -0.10  -0.10
     6   6     0.01   0.00   0.05    -0.01  -0.02   0.01    -0.04  -0.03  -0.04
     7   8     0.15   0.02  -0.06    -0.09  -0.03  -0.05     0.08  -0.04   0.04
     8   1     0.03  -0.11   0.02     0.05  -0.07   0.00     0.00   0.03  -0.04
     9   8     0.01  -0.01   0.02     0.06   0.11  -0.01     0.02   0.05   0.01
    10   1    -0.03   0.01   0.05    -0.00  -0.02  -0.00     0.06  -0.01  -0.04
    11   1     0.03  -0.04   0.03     0.05   0.03   0.02    -0.06  -0.08  -0.04
    12   8    -0.02  -0.04  -0.01     0.04  -0.02  -0.03     0.02  -0.09   0.02
    13   6     0.04  -0.03  -0.08     0.01  -0.03  -0.04     0.04   0.16   0.16
    14   1    -0.13  -0.11   0.05    -0.06  -0.01   0.02     0.14  -0.10   0.01
    15   8    -0.06   0.00  -0.14     0.00  -0.04  -0.03    -0.08   0.04   0.04
    16   1     0.15   0.07   0.05     0.05  -0.02   0.01    -0.09  -0.06  -0.04
    17   1     0.34   0.26  -0.34    -0.39  -0.44   0.36    -0.00  -0.08   0.22
    18   1     0.05  -0.14  -0.17    -0.11   0.44   0.32    -0.03   0.17   0.16
    19   1    -0.19  -0.01  -0.21     0.22  -0.04   0.16     0.12  -0.11   0.14
    20   8    -0.08   0.22  -0.01    -0.02   0.06   0.01    -0.06   0.14  -0.06
    21   1     0.16   0.03  -0.26     0.03  -0.00  -0.15     0.16   0.09   0.48
    22   1     0.08  -0.21  -0.07     0.02  -0.14  -0.04     0.05   0.49   0.14
    23   1    -0.23  -0.05  -0.15    -0.10   0.00  -0.04    -0.02   0.08   0.05
    24   1    -0.26   0.18   0.04    -0.09   0.04   0.01    -0.16   0.14  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    234.2344               277.8699               286.3234
 Red. masses --      1.8785                 2.6265                 2.1024
 Frc consts  --      0.0607                 0.1195                 0.1015
 IR Inten    --     54.8219                44.3865                33.3485
 RamAct Fr= 1--      0.4204                 0.4164                 0.9815
  Dep-P Fr= 1--      0.5720                 0.6559                 0.7060
  Dep-U Fr= 1--      0.7277                 0.7922                 0.8277
 Alpha2 Fr= 1--      0.0014                 0.0007                 0.0007
 Beta2  Fr= 1--      0.0510                 0.0550                 0.1354
 AlphaG Fr= 1--     -0.0009                 0.0014                -0.0037
 Gamma2 Fr= 1--     -0.1081                -0.0642                 0.5417
 Delta2 Fr= 1--     -0.1931                 0.0161                 0.3631
 Raman1 Fr= 1--       1.682                  1.666                  3.926
 ROA1   Fr= 1--     -16.558                 -5.643                 63.622
 CID1   Fr= 1--      -9.847                 -3.388                 16.206
 Raman2 Fr= 1--       0.612                  0.660                  1.625
 ROA2   Fr= 1--      -1.050                 -1.669                 10.096
 CID2   Fr= 1--      -1.716                 -2.529                  6.214
 Raman3 Fr= 1--       1.224                  1.320                  3.249
 ROA3   Fr= 1--     -16.558                 -5.643                 63.622
 CID3   Fr= 1--     -13.531                 -4.277                 19.580
 RC180  Fr= 1--       0.455                  0.584                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05   0.03    -0.03   0.05  -0.11    -0.00   0.03   0.07
     2   6    -0.05  -0.01   0.02    -0.04   0.03  -0.06    -0.03   0.01   0.05
     3   6    -0.01  -0.02   0.01    -0.03  -0.01  -0.11     0.00   0.02   0.06
     4   6     0.01   0.00  -0.00    -0.02  -0.01  -0.06    -0.04   0.03   0.03
     5   8    -0.00   0.01  -0.02    -0.02   0.08   0.11    -0.01  -0.01  -0.07
     6   6    -0.03  -0.02   0.00     0.02   0.00   0.01    -0.02   0.00   0.01
     7   8     0.08  -0.02  -0.00     0.13   0.03   0.04    -0.03   0.07  -0.01
     8   1    -0.01  -0.07   0.02    -0.09   0.14  -0.10     0.02  -0.02   0.07
     9   8     0.01   0.11  -0.04    -0.12  -0.10   0.00     0.01   0.02  -0.04
    10   1    -0.10  -0.01   0.01     0.02   0.08  -0.06    -0.09   0.01   0.04
    11   1    -0.00  -0.04   0.01    -0.13  -0.07  -0.11     0.07   0.07   0.06
    12   8    -0.09   0.06   0.01     0.05  -0.00   0.06     0.07  -0.11  -0.05
    13   6     0.00   0.01   0.03    -0.03   0.00  -0.02    -0.05   0.01   0.01
    14   1     0.04   0.01  -0.00    -0.07  -0.14  -0.06    -0.01   0.11   0.03
    15   8     0.07  -0.10  -0.00     0.08  -0.06  -0.03     0.10  -0.10   0.01
    16   1    -0.05   0.01   0.00     0.09  -0.03   0.01    -0.09   0.07   0.00
    17   1     0.19   0.13  -0.15     0.06   0.08   0.28     0.19   0.27  -0.43
    18   1    -0.20   0.53   0.38    -0.15   0.19   0.55    -0.03   0.07  -0.01
    19   1    -0.45   0.10  -0.36     0.27  -0.08   0.45     0.44  -0.12   0.25
    20   8     0.01  -0.04  -0.01    -0.01  -0.01   0.02    -0.07   0.03  -0.00
    21   1    -0.00  -0.01   0.10    -0.03  -0.00   0.00    -0.07   0.01  -0.01
    22   1     0.01   0.08   0.03    -0.08   0.02  -0.02    -0.04  -0.01   0.01
    23   1     0.06  -0.11  -0.00     0.10  -0.11  -0.03     0.37  -0.32   0.02
    24   1     0.08  -0.03   0.01    -0.02  -0.01   0.03    -0.18   0.02  -0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    308.6687               315.7991               329.1754
 Red. masses --      1.6980                 2.4614                 2.0697
 Frc consts  --      0.0953                 0.1446                 0.1321
 IR Inten    --    142.2413                82.4892                28.0343
 RamAct Fr= 1--      0.5479                 0.6732                 3.6368
  Dep-P Fr= 1--      0.5286                 0.7367                 0.2938
  Dep-U Fr= 1--      0.6916                 0.8484                 0.4542
 Alpha2 Fr= 1--      0.0024                 0.0002                 0.0380
 Beta2  Fr= 1--      0.0632                 0.0952                 0.2753
 AlphaG Fr= 1--      0.0013                 0.0003                 0.0113
 Gamma2 Fr= 1--     -0.0430                 0.1429                -1.1651
 Delta2 Fr= 1--     -0.0812                -0.0444                -0.6171
 Raman1 Fr= 1--       2.191                  2.693                 14.547
 ROA1   Fr= 1--      -6.726                 12.292               -131.593
 CID1   Fr= 1--      -3.069                  4.565                 -9.046
 Raman2 Fr= 1--       0.758                  1.142                  3.304
 ROA2   Fr= 1--      -0.383                  3.784                -23.025
 CID2   Fr= 1--      -0.505                  3.313                 -6.970
 Raman3 Fr= 1--       1.516                  2.284                  6.607
 ROA3   Fr= 1--      -6.726                 12.292               -131.593
 CID3   Fr= 1--      -4.438                  5.381                -19.916
 RC180  Fr= 1--       0.383                  0.697                 -0.092
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.05    -0.02   0.04   0.06    -0.05  -0.05   0.05
     2   6    -0.03   0.02   0.08     0.00   0.02   0.05    -0.09   0.01   0.06
     3   6    -0.01  -0.02   0.02    -0.02   0.00   0.07    -0.02  -0.04  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01   0.04     0.05  -0.01  -0.03
     5   8    -0.00  -0.01  -0.04     0.03  -0.07  -0.05     0.02   0.00  -0.01
     6   6    -0.00   0.03   0.04     0.02   0.05   0.03    -0.04   0.02   0.05
     7   8     0.12   0.06  -0.07    -0.02   0.08  -0.01     0.01  -0.00  -0.03
     8   1    -0.03  -0.10   0.04     0.01   0.00   0.06    -0.07  -0.11   0.04
     9   8     0.01  -0.02  -0.05    -0.00  -0.18  -0.09    -0.05   0.04  -0.03
    10   1    -0.12   0.03   0.07    -0.07   0.06   0.04    -0.16   0.02   0.06
    11   1     0.03  -0.02   0.02     0.01   0.04   0.07     0.04  -0.07  -0.00
    12   8    -0.07   0.02  -0.02    -0.00  -0.07  -0.02    -0.07  -0.01  -0.04
    13   6    -0.02  -0.01   0.01     0.04  -0.00  -0.02     0.10   0.03  -0.02
    14   1     0.02   0.02  -0.00     0.00   0.09   0.04     0.04  -0.01  -0.03
    15   8     0.03  -0.01  -0.01    -0.07   0.11  -0.03    -0.04  -0.00  -0.01
    16   1    -0.05   0.12   0.03    -0.01   0.13   0.03    -0.04   0.07   0.05
    17   1    -0.28  -0.32   0.65    -0.07  -0.00   0.06     0.10   0.10  -0.19
    18   1     0.06  -0.20  -0.34    -0.14   0.35   0.75    -0.10   0.06  -0.09
    19   1    -0.03  -0.01   0.09    -0.10   0.01  -0.32     0.34  -0.14   0.65
    20   8    -0.03  -0.01  -0.00     0.05   0.00   0.00     0.16  -0.01   0.01
    21   1    -0.02  -0.01   0.03     0.02   0.01  -0.08     0.11   0.02   0.01
    22   1    -0.01   0.01   0.01     0.07  -0.07  -0.02     0.09   0.06  -0.02
    23   1     0.25  -0.24   0.00     0.03  -0.03  -0.03    -0.37   0.19  -0.03
    24   1    -0.03  -0.01  -0.02     0.05   0.00   0.00     0.16  -0.01  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    346.9274               376.7895               394.6883
 Red. masses --      2.8544                 1.6268                 2.9212
 Frc consts  --      0.2024                 0.1361                 0.2681
 IR Inten    --     62.7561               202.4820                19.5818
 RamAct Fr= 1--      1.7966                 0.8677                 0.4591
  Dep-P Fr= 1--      0.3880                 0.6842                 0.3060
  Dep-U Fr= 1--      0.5590                 0.8125                 0.4686
 Alpha2 Fr= 1--      0.0139                 0.0010                 0.0046
 Beta2  Fr= 1--      0.1674                 0.1175                 0.0359
 AlphaG Fr= 1--     -0.0140                -0.0025                 0.0121
 Gamma2 Fr= 1--      0.3669                 0.4555                 0.1851
 Delta2 Fr= 1--      0.3021                 0.3295                 0.0251
 Raman1 Fr= 1--       7.186                  3.471                  1.836
 ROA1   Fr= 1--      44.892                 54.276                 18.573
 CID1   Fr= 1--       6.247                 15.638                 10.115
 Raman2 Fr= 1--       2.009                  1.410                  0.430
 ROA2   Fr= 1--       6.389                  8.297                  4.242
 CID2   Fr= 1--       3.180                  5.884                  9.858
 Raman3 Fr= 1--       4.018                  2.820                  0.861
 ROA3   Fr= 1--      44.892                 54.276                 18.573
 CID3   Fr= 1--      11.174                 19.248                 21.584
 RC180  Fr= 1--       0.118                  0.625                 -0.063
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.02     0.00  -0.03  -0.03    -0.01   0.00   0.00
     2   6     0.08  -0.04   0.01    -0.01   0.02  -0.05     0.05   0.01   0.13
     3   6     0.05   0.04   0.01     0.01  -0.02   0.01    -0.00  -0.02  -0.14
     4   6     0.01  -0.01   0.03     0.04  -0.04   0.06    -0.05  -0.04  -0.17
     5   8     0.01  -0.04  -0.03    -0.03   0.02   0.03     0.01  -0.03   0.06
     6   6     0.03  -0.02  -0.01    -0.01   0.03  -0.04    -0.00   0.01   0.13
     7   8     0.04  -0.03  -0.01    -0.03  -0.06   0.02    -0.08  -0.01   0.01
     8   1     0.08  -0.04   0.02     0.05   0.01  -0.03    -0.17  -0.02  -0.00
     9   8     0.10  -0.08  -0.01    -0.05   0.03   0.01     0.15   0.00  -0.04
    10   1     0.09  -0.05   0.01     0.01   0.00  -0.05    -0.00   0.11   0.13
    11   1     0.11   0.06   0.01    -0.01   0.02   0.01     0.00  -0.19  -0.14
    12   8    -0.11   0.21  -0.06    -0.05   0.02  -0.02     0.04   0.04   0.06
    13   6    -0.06  -0.07   0.05     0.08  -0.05   0.01    -0.06   0.09  -0.03
    14   1     0.06  -0.00   0.03     0.06  -0.06   0.06    -0.14  -0.19  -0.17
    15   8    -0.04   0.04  -0.00    -0.04   0.08   0.01    -0.09   0.00  -0.05
    16   1     0.01  -0.02  -0.01    -0.01  -0.00  -0.04    -0.00   0.14   0.12
    17   1     0.16   0.09  -0.23     0.03   0.00  -0.10     0.02   0.04  -0.20
    18   1     0.03   0.14   0.31    -0.01  -0.00   0.04     0.08   0.08  -0.05
    19   1     0.20   0.02   0.71     0.00  -0.02   0.13    -0.07   0.01   0.07
    20   8    -0.14  -0.03  -0.02     0.04   0.01  -0.02     0.03  -0.02   0.03
    21   1    -0.07  -0.07   0.03     0.10  -0.03  -0.06    -0.00   0.04   0.18
    22   1    -0.04  -0.08   0.05     0.15  -0.11   0.01    -0.21   0.28  -0.04
    23   1    -0.10   0.10  -0.00     0.78  -0.49   0.06     0.30  -0.52  -0.04
    24   1    -0.19  -0.03  -0.04     0.00   0.01   0.02     0.15   0.00   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.8158               440.2589               476.0864
 Red. masses --      6.0846                 4.2911                 3.7806
 Frc consts  --      0.6258                 0.4900                 0.5049
 IR Inten    --      3.4372                15.7863                21.8730
 RamAct Fr= 1--      6.3461                 3.9730                11.6871
  Dep-P Fr= 1--      0.4526                 0.2383                 0.0627
  Dep-U Fr= 1--      0.6231                 0.3849                 0.1179
 Alpha2 Fr= 1--      0.0385                 0.0486                 0.2240
 Beta2  Fr= 1--      0.6591                 0.2549                 0.2297
 AlphaG Fr= 1--     -0.0048                 0.0034                -0.0061
 Gamma2 Fr= 1--     -0.0426                 0.0096                -0.1718
 Delta2 Fr= 1--     -0.1818                 0.1603                -0.1498
 Raman1 Fr= 1--      25.384                 15.892                 46.748
 ROA1   Fr= 1--      -9.907                  6.050                -21.288
 CID1   Fr= 1--      -0.390                  0.381                 -0.455
 Raman2 Fr= 1--       7.909                  3.059                  2.756
 ROA2   Fr= 1--       0.433                 -1.052                 -2.925
 CID2   Fr= 1--       0.055                 -0.344                 -1.061
 Raman3 Fr= 1--      15.818                  6.117                  5.512
 ROA3   Fr= 1--      -9.907                  6.050                -21.288
 CID3   Fr= 1--      -0.626                  0.989                 -3.862
 RC180  Fr= 1--       0.246                 -0.230                 -0.764
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.10   0.06     0.00  -0.12   0.04    -0.03   0.11  -0.03
     2   6    -0.07  -0.10   0.02    -0.08   0.04   0.11    -0.05   0.07   0.03
     3   6     0.19   0.12   0.06     0.10  -0.09  -0.05     0.06   0.03  -0.11
     4   6     0.01   0.13   0.02     0.10  -0.06  -0.08     0.09  -0.14   0.04
     5   8    -0.11   0.14  -0.05     0.00   0.16  -0.05    -0.00  -0.13  -0.06
     6   6    -0.21  -0.06  -0.01     0.01   0.20   0.05    -0.05  -0.02   0.07
     7   8     0.10  -0.10  -0.03    -0.08  -0.15  -0.02    -0.08   0.13   0.03
     8   1     0.12  -0.18   0.05    -0.05  -0.19   0.03    -0.14   0.17  -0.02
     9   8    -0.08  -0.12  -0.03    -0.07  -0.06  -0.05    -0.07   0.02  -0.02
    10   1    -0.12  -0.10   0.02    -0.16   0.12   0.11    -0.07   0.17   0.03
    11   1     0.26   0.19   0.05     0.14  -0.20  -0.05     0.03   0.06  -0.11
    12   8     0.24   0.12  -0.01     0.07  -0.01   0.04     0.10   0.12   0.01
    13   6     0.00   0.08   0.01    -0.00  -0.08   0.07     0.12  -0.14   0.09
    14   1     0.02   0.20   0.02     0.20  -0.12  -0.08     0.23  -0.25   0.05
    15   8    -0.23  -0.11  -0.00     0.14   0.12  -0.01    -0.01  -0.11  -0.01
    16   1    -0.29  -0.08  -0.00    -0.03   0.35   0.04    -0.10   0.05   0.06
    17   1     0.06  -0.14   0.05    -0.03  -0.17  -0.17    -0.11   0.08   0.04
    18   1    -0.06  -0.10   0.06    -0.07  -0.02   0.03    -0.04  -0.04  -0.08
    19   1     0.14   0.17  -0.21    -0.11   0.01  -0.15    -0.07   0.10  -0.04
    20   8     0.05   0.03  -0.01    -0.12   0.02  -0.01    -0.06   0.03  -0.06
    21   1    -0.01   0.07   0.04     0.08  -0.10   0.16     0.22  -0.12   0.02
    22   1     0.02   0.12   0.00    -0.05   0.03   0.06     0.23  -0.18   0.09
    23   1    -0.02  -0.31   0.01    -0.12   0.29  -0.02    -0.21  -0.06  -0.02
    24   1     0.19   0.04   0.13    -0.33   0.00  -0.23     0.10   0.01   0.54
                     19                     20                     21
                      A                      A                      A
 Frequencies --    488.3365               547.4900               598.7825
 Red. masses --      1.2263                 3.1492                 5.1469
 Frc consts  --      0.1723                 0.5562                 1.0873
 IR Inten    --    199.3456                49.2567                 2.5637
 RamAct Fr= 1--      2.1438                 1.1663                 0.9590
  Dep-P Fr= 1--      0.1657                 0.1717                 0.2670
  Dep-U Fr= 1--      0.2843                 0.2930                 0.4214
 Alpha2 Fr= 1--      0.0318                 0.0171                 0.0108
 Beta2  Fr= 1--      0.1016                 0.0570                 0.0674
 AlphaG Fr= 1--     -0.0027                 0.0059                 0.0087
 Gamma2 Fr= 1--     -0.3869                -0.0330                -0.1419
 Delta2 Fr= 1--     -0.6456                 0.0677                -0.0813
 Raman1 Fr= 1--       8.575                  4.665                  3.836
 ROA1   Fr= 1--     -57.807                 -1.005                -16.221
 CID1   Fr= 1--      -6.741                 -0.215                 -4.229
 Raman2 Fr= 1--       1.219                  0.684                  0.808
 ROA2   Fr= 1--      -4.121                 -1.335                 -2.754
 CID2   Fr= 1--      -3.381                 -1.953                 -3.407
 Raman3 Fr= 1--       2.438                  1.367                  1.617
 ROA3   Fr= 1--     -57.807                 -1.005                -16.221
 CID3   Fr= 1--     -23.710                 -0.735                -10.034
 RC180  Fr= 1--      -0.431                 -0.414                 -0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.01     0.05   0.02   0.20    -0.13  -0.08   0.06
     2   6     0.00  -0.01   0.00    -0.02  -0.06  -0.08    -0.14  -0.11   0.01
     3   6    -0.01  -0.02   0.01     0.11  -0.09   0.04     0.00   0.07  -0.04
     4   6    -0.01   0.02   0.01    -0.01  -0.11  -0.14     0.05   0.07  -0.02
     5   8    -0.00   0.02  -0.00    -0.04   0.03   0.07     0.24  -0.15   0.03
     6   6     0.02   0.02  -0.01     0.02  -0.06  -0.14     0.18  -0.11   0.02
     7   8     0.01  -0.03  -0.01    -0.04   0.17  -0.04     0.05  -0.03  -0.03
     8   1     0.02  -0.05   0.01     0.18   0.01   0.20    -0.27  -0.17   0.05
     9   8     0.01  -0.00   0.00    -0.06  -0.01   0.02    -0.16   0.12  -0.02
    10   1    -0.00  -0.02   0.00    -0.08  -0.33  -0.09    -0.30  -0.27  -0.01
    11   1    -0.00  -0.00   0.01     0.35  -0.31   0.03     0.02   0.11  -0.04
    12   8    -0.02  -0.05  -0.03    -0.01   0.03  -0.01     0.14   0.05   0.01
    13   6    -0.02   0.04   0.00    -0.01   0.02  -0.01    -0.07   0.03  -0.02
    14   1    -0.00   0.03   0.01    -0.10  -0.20  -0.14     0.01   0.08  -0.02
    15   8     0.03   0.03   0.00     0.01   0.02   0.03    -0.07   0.14  -0.01
    16   1     0.02   0.03  -0.01     0.10  -0.21  -0.13     0.33  -0.17   0.03
    17   1     0.02  -0.02  -0.02    -0.11  -0.06  -0.09     0.06   0.08   0.04
    18   1     0.00   0.01   0.01    -0.03  -0.02   0.06    -0.26   0.17  -0.14
    19   1     0.05  -0.06   0.07    -0.12  -0.01   0.03     0.14   0.08  -0.07
    20   8    -0.05   0.01  -0.05     0.00   0.00   0.01    -0.09  -0.03   0.01
    21   1    -0.02   0.04   0.01     0.13  -0.04   0.25    -0.17   0.03  -0.07
    22   1     0.00   0.05   0.00    -0.15   0.26  -0.02    -0.12  -0.03  -0.01
    23   1     0.02   0.07   0.00     0.15   0.14   0.04     0.21  -0.08   0.01
    24   1     0.43   0.02   0.88     0.05   0.01   0.06    -0.06  -0.02  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --    617.9668               668.2766               895.9001
 Red. masses --      3.4433                 5.2924                 1.7691
 Frc consts  --      0.7747                 1.3926                 0.8366
 IR Inten    --     12.8700                31.6810                12.9066
 RamAct Fr= 1--      0.1712                 0.5107                 2.4920
  Dep-P Fr= 1--      0.7288                 0.5708                 0.2327
  Dep-U Fr= 1--      0.8431                 0.7268                 0.3775
 Alpha2 Fr= 1--      0.0001                 0.0017                 0.0310
 Beta2  Fr= 1--      0.0241                 0.0619                 0.1568
 AlphaG Fr= 1--      0.0006                 0.0020                -0.0011
 Gamma2 Fr= 1--      0.0766                -0.2048                 0.3197
 Delta2 Fr= 1--      0.0721                -0.0821                 0.2377
 Raman1 Fr= 1--       0.685                  2.043                  9.968
 ROA1   Fr= 1--       9.658                -22.289                 38.299
 CID1   Fr= 1--      14.100                -10.910                  3.842
 Raman2 Fr= 1--       0.289                  0.742                  1.882
 ROA2   Fr= 1--       1.260                 -4.259                  5.772
 CID2   Fr= 1--       4.364                 -5.737                  3.068
 Raman3 Fr= 1--       0.577                  1.485                  3.763
 ROA3   Fr= 1--       9.658                -22.289                 38.299
 CID3   Fr= 1--      16.724                -15.011                 10.178
 RC180  Fr= 1--       0.686                  0.454                 -0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17  -0.02   0.04     0.05   0.04  -0.02    -0.06   0.01  -0.03
     2   6    -0.01  -0.17   0.08     0.03   0.03  -0.07    -0.01  -0.01  -0.01
     3   6    -0.09   0.04  -0.12     0.01  -0.07   0.04    -0.05   0.09   0.12
     4   6     0.05   0.02   0.03     0.20   0.11  -0.11    -0.03  -0.04  -0.09
     5   8    -0.05   0.15  -0.00     0.21   0.22  -0.03    -0.00   0.02  -0.01
     6   6    -0.01  -0.03  -0.13     0.04  -0.08   0.12     0.03  -0.01   0.03
     7   8     0.02   0.08  -0.01    -0.03   0.08   0.02     0.02  -0.03  -0.01
     8   1    -0.51  -0.07   0.03     0.20   0.14  -0.01     0.00  -0.02  -0.04
     9   8     0.17  -0.02   0.01    -0.02   0.02   0.01     0.02   0.00   0.01
    10   1    -0.04  -0.44   0.07     0.08   0.16  -0.06     0.02   0.01  -0.01
    11   1    -0.19   0.05  -0.12     0.00  -0.23   0.04    -0.09   0.18   0.12
    12   8     0.03  -0.04   0.04    -0.13  -0.14   0.00    -0.00   0.01  -0.01
    13   6     0.07  -0.08   0.05     0.03  -0.07   0.06     0.06  -0.13  -0.04
    14   1     0.20  -0.08   0.03     0.37   0.17  -0.11    -0.25   0.15  -0.09
    15   8    -0.03   0.03   0.03    -0.20  -0.09  -0.02     0.00   0.01  -0.00
    16   1    -0.04  -0.08  -0.13     0.01  -0.21   0.13     0.04  -0.01   0.03
    17   1     0.03   0.19   0.07    -0.05  -0.01  -0.02     0.04   0.13   0.09
    18   1    -0.03   0.16  -0.09     0.05  -0.04   0.05    -0.01   0.03  -0.01
    19   1     0.06  -0.01  -0.03    -0.04  -0.11  -0.02     0.22   0.10  -0.13
    20   8    -0.00   0.01  -0.02    -0.11  -0.01  -0.01     0.01   0.02   0.00
    21   1     0.04  -0.04  -0.09    -0.03  -0.07   0.03     0.32  -0.25   0.50
    22   1     0.18  -0.20   0.06    -0.01  -0.08   0.06    -0.15   0.40  -0.07
    23   1     0.10   0.16   0.04    -0.20  -0.42  -0.01    -0.02  -0.03  -0.01
    24   1    -0.09  -0.01   0.03    -0.16  -0.03   0.11    -0.20  -0.03   0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    998.6163              1003.6123              1017.4478
 Red. masses --      4.4059                 4.7074                 4.2445
 Frc consts  --      2.5887                 2.7936                 2.5888
 IR Inten    --    195.6970               119.4872                33.4738
 RamAct Fr= 1--      0.3244                 2.9848                 1.7128
  Dep-P Fr= 1--      0.2901                 0.4537                 0.6467
  Dep-U Fr= 1--      0.4497                 0.6242                 0.7854
 Alpha2 Fr= 1--      0.0034                 0.0180                 0.0032
 Beta2  Fr= 1--      0.0243                 0.3105                 0.2242
 AlphaG Fr= 1--      0.0064                 0.0217                -0.0139
 Gamma2 Fr= 1--     -0.7324                 0.5429                 0.4996
 Delta2 Fr= 1--     -0.7370                 0.3342                 0.3853
 Raman1 Fr= 1--       1.297                 11.939                  6.851
 ROA1   Fr= 1--     -93.891                 62.810                 60.287
 CID1   Fr= 1--     -72.366                  5.261                  8.800
 Raman2 Fr= 1--       0.292                  3.726                  2.691
 ROA2   Fr= 1--     -11.682                 10.355                  8.907
 CID2   Fr= 1--     -40.040                  2.779                  3.310
 Raman3 Fr= 1--       0.583                  7.452                  5.381
 ROA3   Fr= 1--     -93.891                 62.810                 60.287
 CID3   Fr= 1--    -160.914                  8.428                 11.203
 RC180  Fr= 1--      -0.101                  0.248                  0.571
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.12   0.22     0.06   0.00   0.11     0.25  -0.00  -0.10
     2   6     0.11   0.20   0.09     0.07  -0.11  -0.10     0.06  -0.18   0.17
     3   6    -0.08   0.16  -0.10    -0.06   0.05  -0.10     0.08   0.17  -0.12
     4   6     0.00   0.04  -0.08    -0.20  -0.01   0.01     0.00   0.03   0.01
     5   8    -0.01  -0.04   0.05    -0.12   0.09  -0.15     0.03  -0.03   0.03
     6   6     0.07  -0.01  -0.16     0.21  -0.06   0.24    -0.10  -0.03  -0.03
     7   8     0.04  -0.17  -0.08     0.02  -0.01  -0.01    -0.00   0.08   0.06
     8   1    -0.13  -0.07   0.19     0.11   0.05   0.11     0.09   0.08  -0.08
     9   8    -0.07   0.02  -0.05    -0.07   0.04  -0.00    -0.12   0.01  -0.06
    10   1    -0.09   0.07   0.06    -0.07  -0.16  -0.11     0.02  -0.21   0.15
    11   1    -0.03  -0.01  -0.09     0.01  -0.03  -0.10    -0.22   0.27  -0.10
    12   8    -0.06  -0.05   0.05    -0.00  -0.00   0.02    -0.13  -0.10   0.07
    13   6     0.04  -0.03   0.06    -0.03  -0.08   0.13    -0.00  -0.05  -0.03
    14   1     0.05  -0.21  -0.08    -0.07  -0.16   0.00    -0.07   0.01   0.00
    15   8    -0.07  -0.10   0.03     0.03   0.07  -0.01     0.03   0.05  -0.01
    16   1     0.10  -0.06  -0.15     0.15  -0.17   0.22    -0.11   0.16  -0.02
    17   1     0.04  -0.24  -0.14     0.00  -0.20  -0.14    -0.04  -0.36  -0.26
    18   1     0.30  -0.25   0.26    -0.00  -0.02   0.04    -0.31   0.15  -0.21
    19   1     0.29   0.11  -0.18    -0.02  -0.00   0.01     0.10  -0.01  -0.05
    20   8     0.00   0.00  -0.01     0.10   0.05  -0.06     0.01   0.01   0.00
    21   1    -0.00  -0.01  -0.05    -0.02  -0.02  -0.09     0.04  -0.09   0.16
    22   1     0.08  -0.13   0.06     0.17  -0.24   0.13    -0.04   0.14  -0.04
    23   1     0.14   0.26   0.05    -0.33  -0.44  -0.04     0.11   0.12  -0.01
    24   1    -0.07  -0.01   0.04    -0.01   0.03  -0.01    -0.09  -0.01   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1045.9573              1064.9806              1072.9322
 Red. masses --      3.2127                 5.2163                 5.3903
 Frc consts  --      2.0709                 3.4858                 3.6560
 IR Inten    --     36.0156               272.7411               498.9436
 RamAct Fr= 1--      1.6621                10.0576                 1.7860
  Dep-P Fr= 1--      0.7443                 0.4511                 0.3839
  Dep-U Fr= 1--      0.8534                 0.6217                 0.5548
 Alpha2 Fr= 1--      0.0002                 0.0614                 0.0140
 Beta2  Fr= 1--      0.2364                 1.0422                 0.1651
 AlphaG Fr= 1--     -0.0036                 0.0128                -0.0284
 Gamma2 Fr= 1--      1.4537                 1.8020                -1.6046
 Delta2 Fr= 1--      1.7821                 1.4387                -0.6090
 Raman1 Fr= 1--       6.648                 40.230                  7.144
 ROA1   Fr= 1--     196.585                219.029               -173.524
 CID1   Fr= 1--      29.569                  5.444                -24.289
 Raman2 Fr= 1--       2.837                 12.506                  1.982
 ROA2   Fr= 1--      20.633                 31.738                -33.638
 CID2   Fr= 1--       7.273                  2.538                -16.974
 Raman3 Fr= 1--       5.674                 25.012                  3.963
 ROA3   Fr= 1--     196.585                219.029               -173.524
 CID3   Fr= 1--      34.649                  8.757                -43.782
 RC180  Fr= 1--       0.707                  0.243                  0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04  -0.08     0.02  -0.02   0.02     0.11   0.07   0.10
     2   6     0.05   0.09   0.15     0.08  -0.03   0.02    -0.06   0.04  -0.00
     3   6     0.11  -0.10  -0.02    -0.02   0.00  -0.03    -0.22  -0.12  -0.07
     4   6    -0.08  -0.03   0.15    -0.03  -0.06   0.05    -0.24  -0.11   0.12
     5   8     0.01   0.09  -0.06    -0.09   0.06  -0.07     0.30   0.12  -0.02
     6   6     0.18  -0.06  -0.09     0.12  -0.00   0.04    -0.19  -0.01  -0.06
     7   8    -0.03   0.03   0.02     0.00   0.01   0.01     0.02  -0.03  -0.01
     8   1    -0.32  -0.11  -0.08    -0.10  -0.03   0.02     0.20   0.14   0.10
     9   8    -0.05   0.02  -0.05    -0.06   0.03  -0.03     0.03  -0.03   0.02
    10   1     0.04   0.18   0.14     0.02  -0.07   0.01    -0.13  -0.07  -0.01
    11   1     0.04   0.14  -0.01    -0.10   0.16  -0.02    -0.29   0.03  -0.07
    12   8     0.02  -0.00  -0.01     0.00   0.00   0.00     0.09   0.08  -0.04
    13   6    -0.09  -0.06  -0.05     0.32   0.20  -0.17     0.05  -0.03  -0.02
    14   1    -0.19   0.19   0.14    -0.27   0.03   0.04    -0.27   0.03   0.10
    15   8    -0.08  -0.07   0.02    -0.02  -0.01   0.01     0.00   0.02  -0.01
    16   1     0.22  -0.06  -0.09     0.05  -0.00   0.03    -0.10  -0.11  -0.04
    17   1    -0.02   0.05   0.03    -0.01  -0.09  -0.07    -0.02  -0.41  -0.26
    18   1     0.05  -0.05   0.06     0.04  -0.04   0.05     0.00  -0.02  -0.03
    19   1    -0.39  -0.18   0.23    -0.05  -0.02   0.04    -0.15  -0.02   0.07
    20   8     0.06   0.04  -0.01    -0.24  -0.16   0.15     0.00  -0.01   0.01
    21   1    -0.03  -0.12   0.24     0.53   0.19  -0.10     0.06  -0.07   0.13
    22   1    -0.09   0.27  -0.08     0.24   0.11  -0.13     0.16   0.10  -0.02
    23   1     0.12   0.19   0.04    -0.09  -0.09   0.01     0.01  -0.05  -0.01
    24   1    -0.05   0.02   0.02     0.22  -0.07  -0.17    -0.15  -0.04   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1079.6943              1096.5275              1104.5110
 Red. masses --      2.4804                 3.6080                 3.1781
 Frc consts  --      1.7036                 2.5560                 2.2843
 IR Inten    --     29.9679               156.1710                78.4571
 RamAct Fr= 1--      7.7656                 5.7998                10.9989
  Dep-P Fr= 1--      0.3144                 0.6390                 0.3523
  Dep-U Fr= 1--      0.4784                 0.7797                 0.5211
 Alpha2 Fr= 1--      0.0762                 0.0116                 0.0958
 Beta2  Fr= 1--      0.6192                 0.7537                 0.9552
 AlphaG Fr= 1--      0.0112                 0.0136                -0.0502
 Gamma2 Fr= 1--      0.0901                -2.8888                 1.4763
 Delta2 Fr= 1--     -0.7944                -1.5385                 0.7635
 Raman1 Fr= 1--      31.063                 23.199                 43.996
 ROA1   Fr= 1--     -16.766               -326.555                166.160
 CID1   Fr= 1--      -0.540                -14.076                  3.777
 Raman2 Fr= 1--       7.431                  9.044                 11.462
 ROA2   Fr= 1--       8.519                -57.022                 29.324
 CID2   Fr= 1--       1.146                 -6.305                  2.558
 Raman3 Fr= 1--      14.861                 18.089                 22.925
 ROA3   Fr= 1--     -16.766               -326.555                166.160
 CID3   Fr= 1--      -1.128                -18.053                  7.248
 RC180  Fr= 1--      -0.043                  0.559                  0.042
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.12  -0.11    -0.07   0.26   0.01    -0.09  -0.03  -0.03
     2   6    -0.07  -0.05   0.14    -0.04  -0.08  -0.03     0.24  -0.02   0.09
     3   6    -0.09  -0.04   0.12     0.20   0.08  -0.00    -0.00  -0.00   0.12
     4   6    -0.03  -0.05  -0.09    -0.05  -0.13   0.09    -0.05  -0.11  -0.05
     5   8    -0.03   0.03  -0.01     0.09   0.04  -0.04     0.07   0.06   0.01
     6   6     0.12  -0.03  -0.04    -0.02   0.08   0.02    -0.13  -0.10  -0.01
     7   8     0.00  -0.03   0.00     0.01  -0.14  -0.09    -0.01  -0.00  -0.01
     8   1     0.38   0.12  -0.10    -0.07   0.27   0.00    -0.18  -0.21  -0.04
     9   8    -0.00  -0.02   0.00     0.03  -0.02   0.02    -0.11   0.05  -0.09
    10   1     0.03   0.06   0.15    -0.03  -0.31  -0.04     0.34   0.04   0.09
    11   1    -0.08  -0.20   0.11     0.37   0.06   0.01     0.05  -0.07   0.12
    12   8     0.03   0.05  -0.04    -0.08  -0.07   0.04     0.01   0.02  -0.02
    13   6     0.01   0.03   0.08    -0.05   0.04  -0.04    -0.03   0.04   0.06
    14   1     0.05  -0.14  -0.08    -0.02  -0.24   0.08     0.07  -0.16  -0.05
    15   8    -0.05  -0.03   0.01    -0.02  -0.02   0.01     0.05   0.07  -0.03
    16   1     0.19   0.12  -0.05    -0.01   0.06   0.03    -0.24  -0.15  -0.01
    17   1     0.01  -0.01  -0.01     0.05   0.32   0.24     0.03   0.39   0.24
    18   1    -0.35   0.24  -0.26    -0.24   0.18  -0.19     0.11  -0.12   0.11
    19   1     0.11   0.08  -0.07    -0.14  -0.09   0.07     0.12   0.06  -0.06
    20   8    -0.00  -0.01  -0.02    -0.00  -0.00   0.01     0.00  -0.00  -0.02
    21   1     0.04   0.11  -0.22     0.11   0.05  -0.03     0.11   0.12  -0.20
    22   1     0.03  -0.27   0.09    -0.04   0.01  -0.04    -0.04  -0.25   0.08
    23   1     0.18   0.23   0.03    -0.06  -0.11   0.01    -0.10  -0.14  -0.04
    24   1     0.12   0.02  -0.06     0.17   0.03  -0.09     0.19   0.03  -0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1108.1681              1127.4217              1162.5486
 Red. masses --      2.7460                 3.0063                 2.8807
 Frc consts  --      1.9868                 2.2514                 2.2939
 IR Inten    --     37.0699                 6.6564                50.9659
 RamAct Fr= 1--      9.8240                 7.7992                 5.6779
  Dep-P Fr= 1--      0.7451                 0.7487                 0.5904
  Dep-U Fr= 1--      0.8539                 0.8563                 0.7424
 Alpha2 Fr= 1--      0.0008                 0.0002                 0.0169
 Beta2  Fr= 1--      1.3981                 1.1131                 0.7026
 AlphaG Fr= 1--     -0.0003                 0.0002                -0.0169
 Gamma2 Fr= 1--      3.1950                -1.3875                 0.1415
 Delta2 Fr= 1--      1.1769                -0.8656                 0.7503
 Raman1 Fr= 1--      39.296                 31.197                 22.711
 ROA1   Fr= 1--     344.385               -160.901                 37.596
 CID1   Fr= 1--       8.764                 -5.158                  1.655
 Raman2 Fr= 1--      16.778                 13.357                  8.431
 ROA2   Fr= 1--      67.266                -26.375                 -2.606
 CID2   Fr= 1--       4.009                 -1.975                 -0.309
 Raman3 Fr= 1--      33.555                 26.713                 16.862
 ROA3   Fr= 1--     344.385               -160.901                 37.596
 CID3   Fr= 1--      10.263                 -6.023                  2.230
 RC180  Fr= 1--       0.708                  0.713                  0.485
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.16   0.01     0.00   0.08   0.05    -0.01  -0.10  -0.01
     2   6     0.08  -0.05   0.05     0.14  -0.11  -0.01     0.08  -0.09  -0.08
     3   6     0.02  -0.13  -0.02    -0.14  -0.09   0.04     0.01   0.00  -0.01
     4   6    -0.02   0.22  -0.03     0.17  -0.06   0.07    -0.11   0.05  -0.05
     5   8    -0.05  -0.06   0.04    -0.04  -0.00   0.01     0.08  -0.03   0.02
     6   6    -0.05  -0.05   0.01     0.03   0.14   0.03     0.02   0.24  -0.01
     7   8     0.00  -0.07  -0.05     0.02  -0.02  -0.02    -0.01   0.05   0.02
     8   1    -0.05   0.18   0.01    -0.08   0.14   0.06    -0.01  -0.13  -0.01
     9   8    -0.04   0.01  -0.03    -0.07   0.03  -0.04    -0.03   0.02  -0.02
    10   1     0.13  -0.09   0.05     0.15  -0.38  -0.03     0.15  -0.23  -0.09
    11   1     0.19  -0.29  -0.03    -0.31   0.03   0.04     0.06  -0.03  -0.01
    12   8     0.04   0.01  -0.03     0.05   0.05  -0.04     0.01  -0.00  -0.00
    13   6     0.10  -0.06   0.04    -0.10   0.01  -0.12     0.04  -0.03   0.11
    14   1    -0.19   0.46  -0.03     0.36  -0.07   0.08    -0.41   0.11  -0.06
    15   8     0.04   0.04  -0.02    -0.03  -0.05   0.03    -0.08  -0.12   0.04
    16   1    -0.09  -0.03   0.01    -0.09   0.23   0.03     0.09   0.58  -0.00
    17   1     0.02   0.07   0.06     0.00  -0.16  -0.12    -0.00   0.15   0.09
    18   1    -0.12   0.07  -0.09    -0.05   0.01  -0.01     0.04  -0.03   0.05
    19   1    -0.41  -0.18   0.21     0.05   0.05  -0.04    -0.09  -0.04   0.06
    20   8    -0.02  -0.00   0.01     0.03   0.02   0.01     0.00   0.00  -0.02
    21   1    -0.07  -0.10   0.12    -0.28  -0.07   0.14     0.15   0.03  -0.08
    22   1     0.16   0.06   0.04    -0.11   0.30  -0.15    -0.03  -0.23   0.12
    23   1    -0.00  -0.01  -0.02    -0.12  -0.13   0.02     0.12   0.19   0.06
    24   1    -0.23  -0.05   0.09    -0.10  -0.01   0.08     0.03   0.01  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1190.5145              1226.9305              1239.4790
 Red. masses --      1.1523                 1.2482                 1.1481
 Frc consts  --      0.9622                 1.1070                 1.0392
 IR Inten    --     14.7525                 6.8903                18.7035
 RamAct Fr= 1--      2.9110                 2.3835                 5.4283
  Dep-P Fr= 1--      0.7500                 0.5317                 0.7401
  Dep-U Fr= 1--      0.8571                 0.6942                 0.8507
 Alpha2 Fr= 1--      0.0000                 0.0101                 0.0009
 Beta2  Fr= 1--      0.4158                 0.2758                 0.7696
 AlphaG Fr= 1--     -0.0001                 0.0039                 0.0075
 Gamma2 Fr= 1--     -2.8354                 1.6941                 0.1458
 Delta2 Fr= 1--     -1.8482                 1.2007                -0.0542
 Raman1 Fr= 1--      11.644                  9.534                 21.713
 ROA1   Fr= 1--    -331.340                201.055                 12.264
 CID1   Fr= 1--     -28.456                 21.088                  0.565
 Raman2 Fr= 1--       4.990                  3.309                  9.235
 ROA2   Fr= 1--     -53.263                 31.052                  3.933
 CID2   Fr= 1--     -10.674                  9.383                  0.426
 Raman3 Fr= 1--       9.980                  6.619                 18.470
 ROA3   Fr= 1--    -331.340                201.055                 12.264
 CID3   Fr= 1--     -33.200                 30.376                  0.664
 RC180  Fr= 1--       0.714                  0.388                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.01    -0.06  -0.03   0.09     0.02   0.00   0.02
     2   6    -0.02   0.02  -0.00     0.03  -0.02  -0.04    -0.00  -0.02   0.03
     3   6     0.01  -0.03   0.03    -0.02   0.01  -0.04    -0.06   0.02  -0.04
     4   6     0.04  -0.01  -0.04     0.03  -0.00   0.02     0.03  -0.00  -0.02
     5   8    -0.01  -0.01   0.01    -0.00   0.01   0.00    -0.01   0.00   0.01
     6   6    -0.01   0.01   0.00    -0.01  -0.03   0.01     0.00  -0.01  -0.00
     7   8     0.01  -0.01   0.00     0.02   0.00  -0.01    -0.03  -0.01  -0.01
     8   1    -0.32   0.09  -0.01     0.11   0.21   0.11     0.56  -0.17   0.01
     9   8     0.01  -0.00   0.00    -0.01  -0.02   0.01    -0.00   0.01  -0.01
    10   1    -0.16  -0.21  -0.02     0.44   0.53   0.02    -0.17  -0.07   0.01
    11   1    -0.23   0.29   0.04     0.09   0.20  -0.03    -0.01   0.39  -0.04
    12   8     0.01  -0.00  -0.01     0.01  -0.01   0.01     0.03  -0.02  -0.00
    13   6    -0.03  -0.01   0.05    -0.02  -0.01  -0.00    -0.01  -0.01  -0.01
    14   1    -0.05   0.29  -0.03     0.03   0.06   0.02     0.15  -0.00  -0.01
    15   8     0.01   0.01   0.00    -0.01  -0.00  -0.01     0.00   0.00  -0.00
    16   1     0.01  -0.12   0.00    -0.02   0.14   0.01    -0.03   0.05  -0.00
    17   1    -0.01  -0.23  -0.15    -0.01  -0.14  -0.09     0.02   0.37   0.25
    18   1     0.07  -0.05   0.05    -0.27   0.18  -0.21     0.13  -0.09   0.10
    19   1    -0.15  -0.08   0.10    -0.07  -0.04   0.05    -0.34  -0.17   0.19
    20   8    -0.00   0.00  -0.02    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1     0.38   0.07  -0.08     0.23   0.01   0.00     0.08  -0.00   0.01
    22   1    -0.37  -0.19   0.06    -0.22  -0.03   0.00    -0.11   0.01  -0.01
    23   1    -0.07  -0.09  -0.00     0.15   0.17  -0.00     0.01   0.03  -0.00
    24   1     0.27   0.06  -0.15     0.14   0.03  -0.07     0.03   0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1264.6112              1271.3132              1312.8602
 Red. masses --      1.2876                 1.2692                 1.1561
 Frc consts  --      1.2133                 1.2086                 1.1741
 IR Inten    --     52.7781                48.7167                13.5180
 RamAct Fr= 1--      4.4260                 3.9202                 3.1125
  Dep-P Fr= 1--      0.1664                 0.5058                 0.7496
  Dep-U Fr= 1--      0.2853                 0.6718                 0.8569
 Alpha2 Fr= 1--      0.0656                 0.0188                 0.0000
 Beta2  Fr= 1--      0.2105                 0.4389                 0.4445
 AlphaG Fr= 1--      0.0351                -0.0095                -0.0004
 Gamma2 Fr= 1--     -0.7500                 0.7892                 0.4848
 Delta2 Fr= 1--     -0.7680                -0.3091                 0.4359
 Raman1 Fr= 1--      17.704                 15.681                 12.450
 ROA1   Fr= 1--     -96.572                 65.873                 60.488
 CID1   Fr= 1--      -5.455                  4.201                  4.858
 Raman2 Fr= 1--       2.526                  5.267                  5.334
 ROA2   Fr= 1--     -11.855                 21.414                  8.148
 CID2   Fr= 1--      -4.694                  4.065                  1.528
 Raman3 Fr= 1--       5.051                 10.534                 10.669
 ROA3   Fr= 1--     -96.572                 65.873                 60.488
 CID3   Fr= 1--     -19.119                  6.253                  5.670
 RC180  Fr= 1--      -0.429                  0.344                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.00    -0.00  -0.00   0.01     0.03   0.00   0.01
     2   6    -0.01   0.10   0.03     0.00  -0.00  -0.02     0.01   0.01  -0.01
     3   6    -0.01   0.01  -0.02     0.02   0.02   0.07    -0.00   0.00  -0.02
     4   6    -0.00   0.00  -0.02    -0.02  -0.05  -0.10    -0.06  -0.02  -0.01
     5   8     0.00  -0.02   0.01     0.00   0.01   0.01    -0.01  -0.01   0.00
     6   6     0.02   0.08  -0.05    -0.01   0.00   0.01    -0.06   0.02   0.04
     7   8    -0.00   0.01   0.01     0.01   0.00   0.00    -0.01  -0.00  -0.00
     8   1     0.16  -0.18  -0.01    -0.27   0.08   0.01    -0.08  -0.16  -0.01
     9   8    -0.00  -0.03  -0.01     0.00  -0.00   0.01    -0.00  -0.01  -0.00
    10   1     0.46  -0.30   0.06     0.03   0.09  -0.02     0.08  -0.06  -0.00
    11   1     0.08   0.14  -0.02    -0.03   0.53   0.07    -0.01  -0.09  -0.02
    12   8     0.00  -0.01   0.01     0.01  -0.02  -0.01    -0.00   0.00   0.00
    13   6     0.01   0.00   0.01     0.03   0.03   0.02    -0.03  -0.01  -0.02
    14   1    -0.03   0.02  -0.02     0.12  -0.07  -0.10     0.53   0.39  -0.00
    15   8     0.01  -0.00   0.03    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    16   1     0.02  -0.40  -0.04     0.08   0.03   0.02     0.55  -0.14   0.07
    17   1    -0.00  -0.01  -0.00    -0.01  -0.14  -0.09     0.00   0.10   0.07
    18   1    -0.31   0.21  -0.23    -0.04   0.02  -0.03    -0.05   0.03  -0.03
    19   1    -0.03  -0.02   0.02    -0.30  -0.14   0.17     0.07   0.03  -0.04
    20   8     0.00  -0.00  -0.00     0.01  -0.00   0.01    -0.00  -0.00   0.01
    21   1    -0.04   0.00  -0.01    -0.43   0.01  -0.07     0.19  -0.01   0.03
    22   1     0.01  -0.02   0.01     0.37   0.01   0.01     0.21   0.06  -0.03
    23   1    -0.28  -0.38  -0.00     0.07   0.07   0.00     0.15   0.16   0.01
    24   1    -0.04  -0.01   0.02    -0.21  -0.05   0.10     0.09   0.02  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1336.0048              1348.0457              1359.0615
 Red. masses --      1.3464                 1.2617                 1.2778
 Frc consts  --      1.4159                 1.3509                 1.3906
 IR Inten    --     49.2949                25.7250                 6.1995
 RamAct Fr= 1--      0.6500                 3.6493                 1.7669
  Dep-P Fr= 1--      0.6503                 0.6997                 0.3299
  Dep-U Fr= 1--      0.7881                 0.8234                 0.4961
 Alpha2 Fr= 1--      0.0012                 0.0032                 0.0165
 Beta2  Fr= 1--      0.0854                 0.5008                 0.1461
 AlphaG Fr= 1--      0.0053                 0.0051                 0.0295
 Gamma2 Fr= 1--     -0.3644                -0.0995                 0.2326
 Delta2 Fr= 1--     -0.2625                 1.2290                 0.1302
 Raman1 Fr= 1--       2.600                 14.597                  7.068
 ROA1   Fr= 1--     -43.384                 29.777                 26.498
 CID1   Fr= 1--     -16.686                  2.040                  3.749
 Raman2 Fr= 1--       1.025                  6.009                  1.753
 ROA2   Fr= 1--      -6.646                -12.220                  4.542
 CID2   Fr= 1--      -6.487                 -2.033                  2.590
 Raman3 Fr= 1--       2.049                 12.019                  3.506
 ROA3   Fr= 1--     -43.384                 29.777                 26.498
 CID3   Fr= 1--     -21.173                  2.478                  7.557
 RC180  Fr= 1--       0.576                  0.647                 -0.008
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01  -0.06    -0.07  -0.02  -0.03     0.00  -0.01   0.02
     2   6    -0.02  -0.01   0.02    -0.04  -0.02   0.06     0.01  -0.01  -0.01
     3   6    -0.04   0.06   0.04     0.01  -0.03  -0.03     0.03  -0.03  -0.03
     4   6    -0.06   0.05  -0.01     0.01  -0.05  -0.00    -0.04  -0.05  -0.03
     5   8     0.02  -0.01   0.02    -0.00   0.00  -0.01     0.01  -0.00   0.05
     6   6     0.02   0.01  -0.03    -0.02  -0.00  -0.00     0.07  -0.00  -0.06
     7   8     0.03   0.01   0.02     0.01   0.00  -0.01    -0.01  -0.00  -0.01
     8   1     0.05   0.10  -0.05     0.31   0.50   0.03     0.04   0.09   0.03
     9   8     0.00   0.01  -0.01     0.00   0.03  -0.03     0.00  -0.01   0.02
    10   1     0.02  -0.08   0.02     0.18  -0.17   0.08    -0.19   0.18  -0.02
    11   1     0.38  -0.13   0.03     0.27   0.18  -0.04    -0.12   0.06  -0.03
    12   8     0.02  -0.02  -0.01    -0.02   0.01   0.03    -0.02   0.01   0.01
    13   6    -0.04  -0.04  -0.03     0.01   0.03   0.02    -0.04  -0.00   0.01
    14   1     0.40  -0.25   0.00    -0.07   0.32  -0.01     0.15   0.53  -0.02
    15   8     0.00   0.00   0.01     0.00   0.00   0.01    -0.00   0.01   0.02
    16   1    -0.17   0.11  -0.04     0.25   0.01   0.01    -0.47   0.21  -0.08
    17   1    -0.02  -0.33  -0.21    -0.01  -0.13  -0.08     0.01   0.11   0.07
    18   1     0.14  -0.09   0.10     0.29  -0.19   0.21    -0.08   0.06  -0.06
    19   1    -0.22  -0.12   0.13     0.19   0.10  -0.11     0.17   0.08  -0.09
    20   8    -0.01   0.00   0.02     0.01  -0.00  -0.01    -0.00   0.00   0.01
    21   1     0.34  -0.03   0.07    -0.14   0.03  -0.04     0.04   0.00   0.00
    22   1     0.25   0.08  -0.04    -0.03  -0.05   0.02     0.37   0.01  -0.00
    23   1    -0.11  -0.11   0.00    -0.04  -0.04   0.01    -0.18  -0.22   0.00
    24   1     0.16   0.03  -0.09    -0.09  -0.02   0.06     0.08   0.02  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1369.0188              1387.8244              1401.0182
 Red. masses --      1.2102                 1.3746                 1.3501
 Frc consts  --      1.3364                 1.5599                 1.5614
 IR Inten    --      9.1533                21.6589                 4.7874
 RamAct Fr= 1--      0.7406                 4.1910                 8.3871
  Dep-P Fr= 1--      0.5811                 0.5968                 0.7495
  Dep-U Fr= 1--      0.7350                 0.7475                 0.8568
 Alpha2 Fr= 1--      0.0023                 0.0119                 0.0001
 Beta2  Fr= 1--      0.0907                 0.5221                 1.1977
 AlphaG Fr= 1--     -0.0015                 0.0068                -0.0006
 Gamma2 Fr= 1--      0.8561                -1.6245                 1.3466
 Delta2 Fr= 1--      0.4832                -1.4780                -0.4015
 Raman1 Fr= 1--       2.962                 16.764                 33.548
 ROA1   Fr= 1--      97.651               -203.244                116.423
 CID1   Fr= 1--      32.964                -12.124                  3.470
 Raman2 Fr= 1--       1.089                  6.265                 14.373
 ROA2   Fr= 1--      16.681                -27.163                 35.530
 CID2   Fr= 1--      15.322                 -4.335                  2.472
 Raman3 Fr= 1--       2.177                 12.531                 28.745
 ROA3   Fr= 1--      97.651               -203.244                116.423
 CID3   Fr= 1--      44.847                -16.220                  4.050
 RC180  Fr= 1--       0.470                  0.495                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.04     0.04  -0.02   0.01     0.01  -0.04   0.01
     2   6     0.03  -0.01  -0.02    -0.00  -0.09   0.02    -0.03   0.07  -0.01
     3   6    -0.06  -0.01  -0.02    -0.00   0.04   0.01     0.05  -0.00   0.01
     4   6    -0.00  -0.04   0.02    -0.04   0.01   0.01    -0.09   0.02   0.01
     5   8    -0.00   0.01   0.01    -0.00  -0.01   0.01     0.00   0.00   0.02
     6   6     0.01  -0.00   0.00    -0.00   0.07  -0.09     0.04  -0.06   0.02
     7   8     0.01   0.01   0.03    -0.01  -0.00  -0.02    -0.01  -0.00  -0.01
     8   1    -0.10  -0.42  -0.09    -0.12   0.21   0.04    -0.05   0.19   0.03
     9   8    -0.00  -0.01   0.02    -0.00   0.01   0.00     0.00  -0.00  -0.01
    10   1    -0.22   0.06  -0.05    -0.15   0.53   0.02     0.21  -0.32   0.00
    11   1     0.64   0.11  -0.04    -0.05  -0.16   0.02    -0.21  -0.04   0.02
    12   8    -0.01   0.00   0.03     0.01  -0.00  -0.01    -0.00   0.00  -0.01
    13   6     0.04   0.03   0.00     0.05   0.02  -0.00     0.07   0.03  -0.01
    14   1     0.11   0.24   0.02     0.22  -0.04   0.01     0.49  -0.04   0.03
    15   8    -0.00  -0.00  -0.00     0.01   0.01   0.04    -0.00   0.00  -0.01
    16   1    -0.12   0.05  -0.00     0.29  -0.16  -0.08    -0.26   0.29   0.01
    17   1    -0.00  -0.15  -0.10     0.00   0.11   0.07     0.00   0.08   0.05
    18   1    -0.08   0.05  -0.06     0.06  -0.04   0.04    -0.02   0.01  -0.01
    19   1     0.06   0.04  -0.05    -0.11  -0.05   0.06     0.01   0.01  -0.01
    20   8     0.01  -0.01  -0.02     0.01  -0.01  -0.01     0.02  -0.02  -0.02
    21   1    -0.09   0.03  -0.04    -0.02   0.02  -0.03     0.03   0.04  -0.07
    22   1    -0.32  -0.06   0.02    -0.33  -0.03   0.01    -0.43  -0.01   0.01
    23   1     0.02   0.03  -0.00    -0.28  -0.36   0.01     0.06   0.08  -0.00
    24   1    -0.20  -0.05   0.11    -0.21  -0.05   0.10    -0.32  -0.08   0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1420.2443              1434.1415              1437.4329
 Red. masses --      1.6410                 1.4871                 1.2815
 Frc consts  --      1.9502                 1.8020                 1.5600
 IR Inten    --      3.3538                20.7562                30.3004
 RamAct Fr= 1--     10.2676                 5.8104                 1.5175
  Dep-P Fr= 1--      0.6957                 0.7301                 0.5621
  Dep-U Fr= 1--      0.8206                 0.8440                 0.7197
 Alpha2 Fr= 1--      0.0097                 0.0020                 0.0054
 Beta2  Fr= 1--      1.4042                 0.8173                 0.1820
 AlphaG Fr= 1--     -0.0122                 0.0032                 0.0418
 Gamma2 Fr= 1--     -0.5368                 0.7858                -0.2570
 Delta2 Fr= 1--     -0.4606                 0.5887                -0.4568
 Raman1 Fr= 1--      41.071                 23.242                  6.070
 ROA1   Fr= 1--     -66.267                 94.275                -39.288
 CID1   Fr= 1--      -1.613                  4.056                 -6.473
 Raman2 Fr= 1--      16.851                  9.808                  2.184
 ROA2   Fr= 1--      -9.197                 14.150                 -2.513
 CID2   Fr= 1--      -0.546                  1.443                 -1.150
 Raman3 Fr= 1--      33.701                 19.616                  4.368
 ROA3   Fr= 1--     -66.267                 94.275                -39.288
 CID3   Fr= 1--      -1.966                  4.806                 -8.994
 RC180  Fr= 1--       0.641                  0.688                  0.439
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.03   0.02     0.09  -0.00   0.00     0.01   0.05   0.01
     2   6    -0.14  -0.04  -0.01    -0.03  -0.03   0.01    -0.03   0.01  -0.02
     3   6    -0.07   0.07   0.00    -0.03  -0.13  -0.00     0.01  -0.06  -0.00
     4   6     0.04  -0.06   0.01    -0.02   0.09  -0.00     0.00   0.04  -0.00
     5   8     0.00   0.00   0.01     0.01  -0.01  -0.00    -0.00   0.00  -0.01
     6   6     0.03  -0.01   0.01     0.02   0.04   0.01    -0.03  -0.09  -0.05
     7   8    -0.01  -0.01  -0.01    -0.02  -0.00  -0.02    -0.00  -0.00   0.01
     8   1    -0.35  -0.15  -0.00    -0.26   0.17   0.02    -0.07  -0.27  -0.03
     9   8     0.01   0.02  -0.03    -0.00   0.01  -0.01     0.01  -0.00  -0.00
    10   1     0.64   0.04   0.07     0.07   0.07   0.02     0.14  -0.00  -0.01
    11   1     0.15  -0.23  -0.01     0.28   0.48  -0.01    -0.01   0.20  -0.00
    12   8     0.01  -0.01  -0.01    -0.02   0.02   0.03    -0.01   0.01   0.01
    13   6    -0.01   0.00   0.00    -0.04  -0.01  -0.00    -0.00  -0.02  -0.00
    14   1    -0.12   0.24   0.00     0.04  -0.33   0.00    -0.03  -0.16  -0.01
    15   8     0.00   0.01  -0.00    -0.00  -0.00  -0.01     0.01   0.02   0.05
    16   1    -0.21   0.07  -0.00    -0.14  -0.24   0.01     0.42   0.66  -0.07
    17   1     0.01   0.15   0.10     0.01   0.23   0.14     0.00  -0.00  -0.01
    18   1     0.24  -0.15   0.18     0.05  -0.03   0.04     0.02  -0.01   0.01
    19   1    -0.14  -0.07   0.08     0.26   0.14  -0.15     0.11   0.06  -0.06
    20   8    -0.00   0.01   0.00     0.01  -0.01  -0.00    -0.01   0.00   0.00
    21   1    -0.08  -0.01   0.04     0.34   0.05  -0.05     0.01  -0.01  -0.00
    22   1     0.05  -0.04   0.00     0.12   0.06  -0.01     0.02   0.04  -0.01
    23   1    -0.00   0.01  -0.00     0.05   0.07  -0.01    -0.25  -0.32   0.02
    24   1     0.05   0.02  -0.03    -0.11  -0.04   0.06     0.09   0.02  -0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1442.0102              1449.5452              1510.5133
 Red. masses --      1.5265                 1.3288                 1.0914
 Frc consts  --      1.8702                 1.6450                 1.4672
 IR Inten    --     11.5461               122.5622                 1.3023
 RamAct Fr= 1--      5.3569                 4.1576                 6.1014
  Dep-P Fr= 1--      0.6532                 0.2118                 0.7402
  Dep-U Fr= 1--      0.7902                 0.3495                 0.8507
 Alpha2 Fr= 1--      0.0093                 0.0547                 0.0010
 Beta2  Fr= 1--      0.7055                 0.2422                 0.8651
 AlphaG Fr= 1--      0.0120                 0.0437                -0.0031
 Gamma2 Fr= 1--      0.6884                -0.8464                -0.1101
 Delta2 Fr= 1--      0.5759                -0.4626                 0.0735
 Raman1 Fr= 1--      21.428                 16.630                 24.406
 ROA1   Fr= 1--      84.516                -96.056                 -8.221
 CID1   Fr= 1--       3.944                 -5.776                 -0.337
 Raman2 Fr= 1--       8.467                  2.907                 10.381
 ROA2   Fr= 1--      11.914                -16.612                 -3.232
 CID2   Fr= 1--       1.407                 -5.715                 -0.311
 Raman3 Fr= 1--      16.933                  5.813                 20.763
 ROA3   Fr= 1--      84.516                -96.056                 -8.221
 CID3   Fr= 1--       4.991                -16.524                 -0.396
 RC180  Fr= 1--       0.580                 -0.301                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.10  -0.01     0.00   0.01  -0.00     0.00  -0.00  -0.00
     2   6     0.05   0.09   0.00    -0.01  -0.02   0.00     0.00   0.00   0.00
     3   6    -0.10   0.05   0.01     0.01  -0.04   0.00    -0.01   0.01   0.00
     4   6     0.04  -0.02   0.01    -0.07   0.02  -0.01     0.00  -0.01   0.00
     5   8    -0.01   0.01  -0.01     0.01  -0.01   0.01     0.00   0.00  -0.00
     6   6    -0.02  -0.04  -0.00     0.01   0.03   0.00    -0.00   0.00  -0.00
     7   8    -0.02  -0.01  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.26   0.55   0.06    -0.02  -0.01  -0.00    -0.01   0.01  -0.00
     9   8    -0.01  -0.02   0.02     0.00   0.01  -0.00    -0.00  -0.00   0.00
    10   1    -0.26  -0.23  -0.04     0.04   0.06   0.01    -0.00  -0.00  -0.00
    11   1     0.38  -0.09  -0.01     0.03   0.14   0.00     0.02  -0.05   0.00
    12   8     0.01  -0.01  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.00
    13   6     0.00  -0.02  -0.01     0.10  -0.07  -0.01     0.01  -0.06   0.05
    14   1    -0.09   0.03   0.00     0.21  -0.07  -0.00    -0.04   0.05   0.00
    15   8     0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00  -0.00
    16   1     0.15   0.21  -0.01    -0.11  -0.12   0.00    -0.00  -0.00  -0.00
    17   1     0.01   0.24   0.16     0.00   0.01   0.00     0.00  -0.00  -0.00
    18   1    -0.20   0.13  -0.14     0.04  -0.03   0.03    -0.00   0.00  -0.00
    19   1    -0.07  -0.04   0.05     0.12   0.06  -0.06    -0.01  -0.01   0.01
    20   8    -0.01   0.01   0.00    -0.04   0.05   0.01    -0.01  -0.00   0.01
    21   1    -0.11  -0.05   0.07    -0.52  -0.18   0.13    -0.00   0.15  -0.69
    22   1    -0.00  -0.02  -0.00    -0.25   0.06  -0.01    -0.05   0.70  -0.02
    23   1    -0.04  -0.05   0.01     0.02   0.03  -0.00     0.00   0.00  -0.00
    24   1     0.17   0.05  -0.08     0.59   0.17  -0.27     0.04   0.00  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2988.6849              2993.5419              2998.0415
 Red. masses --      1.0786                 1.0810                 1.0763
 Frc consts  --      5.6765                 5.7073                 5.6999
 IR Inten    --      1.1306                16.4676                54.1404
 RamAct Fr= 1--    126.3910               422.2216                25.4119
  Dep-P Fr= 1--      0.1447                 0.1572                 0.3669
  Dep-U Fr= 1--      0.2529                 0.2718                 0.5369
 Alpha2 Fr= 1--      1.9801                 6.4079                 0.2110
 Beta2  Fr= 1--      5.3268                19.1238                 2.2738
 AlphaG Fr= 1--      0.7014                 0.9874                -0.0721
 Gamma2 Fr= 1--     11.7389                 3.4927                -1.0181
 Delta2 Fr= 1--     10.9822                -0.4420                -0.1901
 Raman1 Fr= 1--     505.564               1688.886                101.647
 ROA1   Fr= 1--    1478.365                321.159               -103.818
 CID1   Fr= 1--       2.924                  0.190                 -1.021
 Raman2 Fr= 1--      63.921                229.486                 27.285
 ROA2   Fr= 1--     193.877                 87.362                -22.913
 CID2   Fr= 1--       3.033                  0.381                 -0.840
 Raman3 Fr= 1--     127.843                458.972                 54.570
 ROA3   Fr= 1--    1478.365                321.159               -103.818
 CID3   Fr= 1--      11.564                  0.700                 -1.902
 RC180  Fr= 1--      -0.494                 -0.456                  0.074
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.02     0.00  -0.01   0.03    -0.00   0.01  -0.03
     2   6     0.00   0.00  -0.02     0.01   0.00  -0.07     0.00   0.00  -0.01
     3   6     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.05
     4   6    -0.00  -0.00  -0.06     0.00   0.00   0.02     0.00  -0.00  -0.03
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.00   0.02  -0.20     0.00   0.04  -0.39    -0.00  -0.04   0.41
     9   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   1    -0.02  -0.01   0.25    -0.08  -0.02   0.84    -0.01  -0.00   0.09
    11   1    -0.00   0.00  -0.17    -0.00  -0.00   0.01    -0.01   0.01  -0.55
    12   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00   0.04    -0.00   0.00  -0.02    -0.00   0.01  -0.05
    14   1    -0.02  -0.00   0.79     0.01  -0.00  -0.21    -0.01  -0.00   0.34
    15   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1     0.01  -0.00  -0.04     0.00  -0.00  -0.13     0.00  -0.00  -0.06
    17   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1    -0.01   0.07   0.03     0.00  -0.04  -0.02     0.01  -0.15  -0.05
    22   1    -0.01  -0.04  -0.48     0.00   0.02   0.25     0.01   0.05   0.60
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3001.7005              3016.5424              3025.6609
 Red. masses --      1.0793                 1.0847                 1.0859
 Frc consts  --      5.7299                 5.8153                 5.8571
 IR Inten    --     15.1709               118.0177               159.1189
 RamAct Fr= 1--     54.3384                63.4777                81.9885
  Dep-P Fr= 1--      0.1595                 0.1555                 0.1921
  Dep-U Fr= 1--      0.2751                 0.2691                 0.3222
 Alpha2 Fr= 1--      0.8200                 0.9677                 1.1370
 Beta2  Fr= 1--      2.4912                 2.8473                 4.4032
 AlphaG Fr= 1--     -0.0778                -0.4534                -1.1785
 Gamma2 Fr= 1--    -13.3210                 4.2809                -3.5403
 Delta2 Fr= 1--    -14.8641                 4.2862                 3.4172
 Raman1 Fr= 1--     217.354                253.911                327.954
 ROA1   Fr= 1--   -1754.465                548.127               -230.516
 CID1   Fr= 1--      -8.072                  2.159                 -0.703
 Raman2 Fr= 1--      29.895                 34.167                 52.839
 ROA2   Fr= 1--    -200.791                 68.453               -112.304
 CID2   Fr= 1--      -6.717                  2.003                 -2.125
 Raman3 Fr= 1--      59.789                 68.334                105.677
 ROA3   Fr= 1--   -1754.465                548.127               -230.516
 CID3   Fr= 1--     -29.344                  8.021                 -2.181
 RC180  Fr= 1--      -0.450                 -0.462                 -0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.05     0.00   0.00  -0.03     0.00   0.00  -0.02
     2   6     0.00   0.00  -0.03     0.00   0.00  -0.01     0.00   0.00  -0.02
     3   6     0.00   0.00   0.02    -0.00  -0.00  -0.06    -0.00   0.00  -0.01
     4   6    -0.00   0.00   0.03    -0.00  -0.00  -0.03     0.00   0.00  -0.01
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.01    -0.00   0.00   0.03     0.00  -0.00  -0.08
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.07   0.63    -0.00  -0.05   0.41    -0.00  -0.03   0.23
     9   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   1    -0.03  -0.01   0.34    -0.02  -0.01   0.15    -0.03  -0.00   0.26
    11   1    -0.00  -0.00  -0.24     0.02  -0.00   0.76     0.01  -0.00   0.18
    12   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6     0.00  -0.01   0.04    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    14   1     0.01   0.00  -0.32    -0.01   0.01   0.30    -0.01  -0.00   0.07
    15   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.00  -0.00  -0.18     0.01  -0.01  -0.32    -0.02   0.03   0.91
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    21   1    -0.01   0.13   0.04     0.00  -0.06  -0.02     0.00  -0.01  -0.00
    22   1    -0.01  -0.04  -0.51     0.01   0.01   0.16     0.00   0.00   0.01
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.01  -0.01  -0.02
    24   1     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3091.3593              3689.0799              3745.2960
 Red. masses --      1.0946                 1.0661                 1.0655
 Frc consts  --      6.1633                 8.5485                 8.8061
 IR Inten    --     48.0723               241.9152                63.0936
 RamAct Fr= 1--    147.4865                88.8106               104.1461
  Dep-P Fr= 1--      0.3357                 0.1067                 0.1534
  Dep-U Fr= 1--      0.5027                 0.1928                 0.2660
 Alpha2 Fr= 1--      1.3553                 1.5296                 1.5962
 Beta2  Fr= 1--     12.3567                 2.8542                 4.6169
 AlphaG Fr= 1--     -0.8610                -0.1159                -0.2023
 Gamma2 Fr= 1--     -8.1234                -1.0880                -1.0191
 Delta2 Fr= 1--     -3.9119                -0.5228                -0.6391
 Raman1 Fr= 1--     589.946                355.242                416.584
 ROA1   Fr= 1--    -905.031               -121.176               -118.282
 CID1   Fr= 1--      -1.534                 -0.341                 -0.284
 Raman2 Fr= 1--     148.280                 34.251                 55.403
 ROA2   Fr= 1--    -163.667                -21.929                -19.346
 CID2   Fr= 1--      -1.104                 -0.640                 -0.349
 Raman3 Fr= 1--     296.561                 68.502                110.805
 ROA3   Fr= 1--    -905.031               -121.176               -118.282
 CID3   Fr= 1--      -3.052                 -1.769                 -1.067
 RC180  Fr= 1--       0.005                 -0.614                 -0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6     0.01  -0.08  -0.04     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.06    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.06
    16   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.02
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    18   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.02  -0.01   0.01
    19   1     0.00  -0.00   0.00    -0.02   0.05   0.02     0.00  -0.00  -0.00
    20   8    -0.00   0.00   0.00     0.01  -0.06  -0.00    -0.00  -0.00  -0.00
    21   1    -0.09   0.93   0.25     0.00   0.02   0.00    -0.00   0.00   0.00
    22   1     0.01   0.00   0.21     0.00   0.00  -0.01    -0.00   0.00  -0.00
    23   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.07  -0.02   1.00
    24   1     0.01  -0.02  -0.01    -0.16   0.98   0.07    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3777.3103              3784.6471              3786.3208
 Red. masses --      1.0661                 1.0662                 1.0661
 Frc consts  --      8.9625                 8.9977                 9.0052
 IR Inten    --     80.1614                61.3010               111.8137
 RamAct Fr= 1--    103.9609                81.4732               177.5852
  Dep-P Fr= 1--      0.1735                 0.3470                 0.1069
  Dep-U Fr= 1--      0.2957                 0.5152                 0.1932
 Alpha2 Fr= 1--      1.5131                 0.7223                 3.0567
 Beta2  Fr= 1--      5.1243                 6.9956                 5.7191
 AlphaG Fr= 1--     -0.7011                -0.4311                 0.5013
 Gamma2 Fr= 1--     -5.8731                11.8951                -8.4230
 Delta2 Fr= 1--      0.0711                 5.9492                -4.1785
 Raman1 Fr= 1--     415.843                325.893                710.341
 ROA1   Fr= 1--    -561.544               1332.304               -942.317
 CID1   Fr= 1--      -1.350                  4.088                 -1.327
 Raman2 Fr= 1--      61.492                 83.947                 68.629
 ROA2   Fr= 1--    -141.523                237.888               -168.724
 CID2   Fr= 1--      -2.301                  2.834                 -2.459
 Raman3 Fr= 1--     122.984                167.893                137.258
 ROA3   Fr= 1--    -561.544               1332.304               -942.317
 CID3   Fr= 1--      -4.566                  7.935                 -6.865
 RC180  Fr= 1--      -0.409                  0.030                 -0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.02  -0.01   0.01    -0.05   0.02  -0.02
     8   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8    -0.00  -0.00   0.00    -0.04  -0.04   0.02    -0.01  -0.01   0.01
    10   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8     0.01  -0.06  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1     0.04  -0.02   0.01    -0.28   0.10  -0.10     0.84  -0.31   0.31
    18   1     0.00   0.00  -0.00     0.68   0.60  -0.27     0.22   0.20  -0.09
    19   1    -0.21   0.92   0.31    -0.00   0.01   0.00     0.01  -0.04  -0.01
    20   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.02     0.00   0.00   0.00
    24   1     0.01  -0.05  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1375.855292459.359913661.59676
           X            0.99998  -0.00648   0.00108
           Y            0.00649   0.99997  -0.00422
           Z           -0.00105   0.00423   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06295     0.03522     0.02365
 Rotational constants (GHZ):           1.31172     0.73383     0.49288
 Zero-point vibrational energy     514642.7 (Joules/Mol)
                                  123.00255 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     95.27   146.80   164.07   235.02   265.54
          (Kelvin)            300.39   337.01   399.79   411.96   444.11
                              454.36   473.61   499.15   542.12   567.87
                              601.14   633.43   684.98   702.61   787.72
                              861.51   889.12   961.50  1289.00  1436.79
                             1443.97  1463.88  1504.90  1532.27  1543.71
                             1553.44  1577.66  1589.14  1594.41  1622.11
                             1672.65  1712.88  1765.28  1783.33  1819.49
                             1829.14  1888.91  1922.21  1939.54  1955.39
                             1969.71  1996.77  2015.75  2043.41  2063.41
                             2068.15  2074.73  2085.57  2173.29  4300.05
                             4307.04  4313.51  4318.78  4340.13  4353.25
                             4447.78  5307.76  5388.65  5434.71  5445.26
                             5447.67
 
 Zero-point correction=                           0.196017 (Hartree/Particle)
 Thermal correction to Energy=                    0.208676
 Thermal correction to Enthalpy=                  0.209621
 Thermal correction to Gibbs Free Energy=         0.158085
 Sum of electronic and zero-point Energies=           -687.327987
 Sum of electronic and thermal Energies=              -687.315328
 Sum of electronic and thermal Enthalpies=            -687.314384
 Sum of electronic and thermal Free Energies=         -687.365919
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  130.946             48.035            108.466
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.894
 Vibrational            129.169             42.074             36.100
 Vibration     1          0.598              1.970              4.263
 Vibration     2          0.604              1.948              3.415
 Vibration     3          0.607              1.938              3.199
 Vibration     4          0.623              1.887              2.511
 Vibration     5          0.631              1.861              2.282
 Vibration     6          0.642              1.827              2.054
 Vibration     7          0.654              1.788              1.846
 Vibration     8          0.679              1.714              1.547
 Vibration     9          0.684              1.699              1.496
 Vibration    10          0.698              1.657              1.369
 Vibration    11          0.703              1.643              1.332
 Vibration    12          0.712              1.617              1.264
 Vibration    13          0.725              1.582              1.180
 Vibration    14          0.747              1.520              1.052
 Vibration    15          0.762              1.482              0.982
 Vibration    16          0.781              1.432              0.899
 Vibration    17          0.800              1.382              0.826
 Vibration    18          0.833              1.303              0.721
 Vibration    19          0.844              1.276              0.688
 Vibration    20          0.903              1.145              0.549
 Vibration    21          0.957              1.034              0.452
 Vibration    22          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.193159D-72        -72.714085       -167.430367
 Total V=0       0.280167D+18         17.447417         40.174161
 Vib (Bot)       0.161415D-86        -86.792055       -199.846092
 Vib (Bot)    1  0.311612D+01          0.493614          1.136588
 Vib (Bot)    2  0.201055D+01          0.303316          0.698410
 Vib (Bot)    3  0.179454D+01          0.253952          0.584747
 Vib (Bot)    4  0.123634D+01          0.092139          0.212158
 Vib (Bot)    5  0.108652D+01          0.036039          0.082982
 Vib (Bot)    6  0.951786D+00         -0.021461         -0.049415
 Vib (Bot)    7  0.839290D+00         -0.076088         -0.175199
 Vib (Bot)    8  0.692687D+00         -0.159463         -0.367176
 Vib (Bot)    9  0.669224D+00         -0.174429         -0.401637
 Vib (Bot)   10  0.613080D+00         -0.212483         -0.489261
 Vib (Bot)   11  0.596746D+00         -0.224210         -0.516263
 Vib (Bot)   12  0.567906D+00         -0.245724         -0.565800
 Vib (Bot)   13  0.532867D+00         -0.273381         -0.629484
 Vib (Bot)   14  0.480932D+00         -0.317916         -0.732030
 Vib (Bot)   15  0.453336D+00         -0.343580         -0.791122
 Vib (Bot)   16  0.420955D+00         -0.375764         -0.865229
 Vib (Bot)   17  0.392576D+00         -0.406076         -0.935024
 Vib (Bot)   18  0.352471D+00         -0.452877         -1.042787
 Vib (Bot)   19  0.340024D+00         -0.468490         -1.078739
 Vib (Bot)   20  0.287330D+00         -0.541620         -1.247125
 Vib (Bot)   21  0.249684D+00         -0.602609         -1.387559
 Vib (Bot)   22  0.237155D+00         -0.624967         -1.439040
 Vib (V=0)       0.234124D+04          3.369446          7.758437
 Vib (V=0)    1  0.365598D+01          0.563003          1.296363
 Vib (V=0)    2  0.257179D+01          0.410236          0.944603
 Vib (V=0)    3  0.236289D+01          0.373444          0.859886
 Vib (V=0)    4  0.183362D+01          0.263309          0.606292
 Vib (V=0)    5  0.169605D+01          0.229438          0.528301
 Vib (V=0)    6  0.157513D+01          0.197315          0.454336
 Vib (V=0)    7  0.147694D+01          0.169362          0.389971
 Vib (V=0)    8  0.135429D+01          0.131712          0.303279
 Vib (V=0)    9  0.133538D+01          0.125605          0.289216
 Vib (V=0)   10  0.129112D+01          0.110966          0.255508
 Vib (V=0)   11  0.127853D+01          0.106710          0.245710
 Vib (V=0)   12  0.125665D+01          0.099214          0.228448
 Vib (V=0)   13  0.123072D+01          0.090158          0.207597
 Vib (V=0)   14  0.119375D+01          0.076915          0.177103
 Vib (V=0)   15  0.117492D+01          0.070007          0.161198
 Vib (V=0)   16  0.115361D+01          0.062058          0.142894
 Vib (V=0)   17  0.113570D+01          0.055264          0.127250
 Vib (V=0)   18  0.111175D+01          0.046006          0.105934
 Vib (V=0)   19  0.110466D+01          0.043230          0.099540
 Vib (V=0)   20  0.107668D+01          0.032086          0.073881
 Vib (V=0)   21  0.105888D+01          0.024845          0.057208
 Vib (V=0)   22  0.105339D+01          0.022590          0.052015
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.126002D+07          6.100378         14.046640
 
                                                          ROA calculations.
                                                             IR Spectrum
 
    3333 3                3333222                                     11111111111111111111111111111                                  
    7777 6                0000999                                     544444433333322221111100000009  8     6655444433333322221111   
    8874 8                9210998                                     154332086543176329620098764109  9     61948741974210873086106  
    6575 9                1672849                                     102740189986315971378570356749  6     88978608577969684953426  
 
    XXXX X                XXXXXXX                                     XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X     XXXXXXXXXXXXXXXXXXXXXXX  
    XXXX X                XXX X                                        X         X XX   X  XX XX  XX           XX    XX XX XX X      
    X XX X                 XX                                          X                   XX XX  XX            X    XX XX    X      
    X    X                 XX                                          X                    X XX  XX            X    X   X    X      
         X                 XX                                          X                    X XX  XX            X    X   X           
         X                 X                                                                X XX   X            X    X   X           
         X                                                                                    XX   X            X    X               
         X                                                                                    XX   X            X    X               
         X                                                                                    XX                                     
         X                                                                                    XX                                     
                                                                                              XX                                     
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000202   -0.000000913   -0.000003077
      2        6          -0.000000221    0.000000051   -0.000003223
      3        6          -0.000000164    0.000000559   -0.000000352
      4        6           0.000002064   -0.000000012    0.000003133
      5        8           0.000000013   -0.000000945    0.000003487
      6        6          -0.000001996    0.000000218   -0.000000039
      7        8          -0.000000781    0.000001530   -0.000005054
      8        1           0.000002135   -0.000002018   -0.000002937
      9        8           0.000001358    0.000000341   -0.000005345
     10        1          -0.000001711    0.000002186   -0.000002855
     11        1          -0.000002283    0.000002158    0.000000094
     12        8           0.000000376   -0.000000858   -0.000001046
     13        6          -0.000002994   -0.000001557    0.000006517
     14        1           0.000001918   -0.000002253    0.000002051
     15        8          -0.000000123    0.000000647   -0.000000202
     16        1           0.000002127   -0.000002255    0.000000130
     17        1           0.000000745    0.000000048   -0.000007037
     18        1          -0.000000009   -0.000000252   -0.000005362
     19        1           0.000000395   -0.000000062   -0.000000994
     20        8           0.000002311   -0.000000256    0.000005249
     21        1          -0.000000018   -0.000000002    0.000007142
     22        1          -0.000001969    0.000002206    0.000005099
     23        1          -0.000001587    0.000001885    0.000000232
     24        1           0.000000214   -0.000000446    0.000004387
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007142 RMS     0.000002521
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.128272D+03  0.145677D+01 -0.692740D+00
      2   0.145677D+01  0.116073D+03 -0.178095D+01
      3  -0.692740D+00 -0.178095D+01  0.993077D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.209782D+01 -0.488397D+01  0.644596D+01
      2  -0.352965D+01 -0.654318D+00  0.569562D+01
      3  -0.853617D+01 -0.128797D+02  0.226595D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.334395D+02 -0.109616D+02 -0.174414D+02
      2  -0.264886D+02  0.111573D+02  0.138122D+02
      3  -0.695090D+01 -0.195701D+00  0.362926D+01
      4  -0.225519D+02 -0.683322D+01 -0.161840D+01
      5  -0.103584D+02 -0.370196D+01  0.907071D+01
      6   0.192655D+00  0.137989D+02 -0.116673D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.350126D+01  0.275495D+01 -0.947499D+00  0.203044D+01  0.280968D+01
      2   0.275495D+01  0.277399D+01  0.340436D+00  0.280968D+01 -0.462119D+01
      3  -0.947499D+00  0.340436D+00 -0.886240D+00  0.424136D+00 -0.152549D+01
                 6             7             8             9            10 
      1   0.424136D+00 -0.126346D+01  0.683019D+00 -0.468378D+00  0.431364D+01
      2  -0.152549D+01  0.683019D+00 -0.291577D+01 -0.122457D+01 -0.263162D+01
      3   0.895469D+00 -0.468378D+00 -0.122457D+01  0.117572D+02  0.158691D+01
                11            12            13            14            15 
      1  -0.263162D+01  0.158691D+01 -0.342045D+01 -0.269236D+01 -0.692670D+00
      2  -0.193586D+01 -0.366887D+00 -0.269236D+01  0.228471D+01  0.942475D+00
      3  -0.366887D+00 -0.134914D+01 -0.692670D+00  0.942475D+00  0.165100D+01
                16            17            18            19            20 
      1   0.260031D+01 -0.121458D+01  0.959370D+00  0.174518D+01 -0.305210D+01
      2  -0.121458D+01  0.142213D+01  0.577851D+00 -0.305210D+01 -0.236940D+01
      3   0.959370D+00  0.577851D+00 -0.119146D+02  0.113142D+01  0.339254D+00
                21            22            23            24            25 
      1   0.113142D+01 -0.450027D+01 -0.382676D+01  0.193426D+00  0.239530D+01
      2   0.339254D+00 -0.382676D+01  0.310582D+01  0.124857D+01  0.385074D+00
      3   0.111575D+01  0.193426D+00  0.124857D+01  0.179648D+01 -0.146083D+00
                26            27            28            29            30 
      1   0.385074D+00 -0.146083D+00  0.608906D+00  0.446183D+01 -0.130965D+01
      2   0.242658D+01  0.515011D+00  0.446183D+01  0.215592D+01  0.114560D-01
      3   0.515011D+00 -0.114233D+02 -0.130965D+01  0.114560D-01 -0.136078D+01
                31            32            33            34            35 
      1   0.454672D+01  0.357622D+01  0.145741D+00 -0.176242D+01  0.273072D+00
      2   0.357622D+01 -0.440327D+01 -0.120117D+01  0.273072D+00 -0.244431D+01
      3   0.145741D+00 -0.120117D+01 -0.107029D+01 -0.767558D+00  0.367696D-01
                36            37            38            39            40 
      1  -0.767558D+00  0.279011D+01 -0.390891D+01  0.673803D+00 -0.521483D+01
      2   0.367696D-01 -0.390891D+01 -0.412748D+00 -0.727027D+00 -0.129080D+01
      3   0.120657D+02  0.673803D+00 -0.727027D+00  0.196796D+00 -0.183924D+00
                41            42            43            44            45 
      1  -0.129080D+01 -0.183924D+00  0.393908D+01  0.302621D+00  0.285608D+00
      2  -0.399948D+01  0.120159D+01  0.302621D+00  0.179029D+01 -0.111518D+01
      3   0.120159D+01  0.102674D+01  0.285608D+00 -0.111518D+01 -0.186148D+01
                46            47            48            49            50 
      1  -0.553399D+01  0.103455D+01 -0.270872D+00  0.375780D+01  0.272463D+01
      2   0.103455D+01  0.198153D+01  0.126677D+01  0.272463D+01 -0.206990D+01
      3  -0.270872D+00  0.126677D+01 -0.103462D+01  0.266065D+00 -0.745164D+00
                51            52            53            54            55 
      1   0.266065D+00 -0.245945D+01  0.404148D+00  0.156215D+00  0.482109D+01
      2  -0.745164D+00  0.404148D+00 -0.224140D+01  0.513427D+00 -0.110201D+01
      3  -0.314616D+01  0.156215D+00  0.513427D+00  0.118356D+02  0.179997D+01
                56            57            58            59            60 
      1  -0.110201D+01  0.179997D+01 -0.678829D+00  0.121790D+00 -0.481691D+00
      2   0.225459D+01 -0.366235D+00  0.121790D+00  0.919496D+01  0.181080D+01
      3  -0.366235D+00  0.131574D+01 -0.481691D+00  0.181080D+01 -0.801732D+00
                61            62            63            64            65 
      1   0.272862D+01 -0.138367D+01  0.450356D-01  0.560278D+00 -0.437476D+00
      2  -0.138367D+01  0.432664D+01  0.201290D+01 -0.437476D+00 -0.447890D+00
      3   0.450356D-01  0.201290D+01  0.166611D+00 -0.103513D+01 -0.352615D-01
                66            67            68            69            70 
      1  -0.103513D+01 -0.208197D+00 -0.413095D+00 -0.104784D-02 -0.209438D+01
      2  -0.352615D-01 -0.413095D+00  0.103661D+01 -0.120969D+01  0.878501D-01
      3   0.314778D+00 -0.104784D-02 -0.120969D+01  0.679696D+00 -0.147601D-01
                71            72            73            74            75 
      1   0.878501D-01 -0.147601D-01 -0.407757D+01  0.427172D+01 -0.194738D+01
      2  -0.216258D+01  0.117425D+01  0.427172D+01  0.850868D+00 -0.359836D+00
      3   0.117425D+01 -0.973361D+01 -0.194738D+01 -0.359836D+00  0.168100D+01
                76            77            78            79            80 
      1   0.741965D+01 -0.735588D+00  0.511664D-01 -0.495815D+01  0.656121D-01
      2  -0.735588D+00  0.347339D+01 -0.128661D+01  0.656121D-01 -0.172382D+01
      3   0.511664D-01 -0.128661D+01  0.647043D+00 -0.178602D+01  0.593253D+00
                81            82            83            84            85 
      1  -0.178602D+01 -0.902061D+00  0.480658D+00  0.117842D+01  0.399489D+00
      2   0.593253D+00  0.480658D+00  0.309414D+00  0.820880D-01  0.286808D+00
      3  -0.255004D+00  0.117842D+01  0.820880D-01 -0.447115D+00  0.104692D+00
                86            87            88            89            90 
      1   0.286808D+00  0.104692D+00  0.227599D+01  0.180596D+00 -0.106614D+01
      2  -0.595039D+00  0.115635D+01  0.180596D+00  0.193897D+01 -0.310449D+00
      3   0.115635D+01 -0.625659D+00 -0.106614D+01 -0.310449D+00  0.976794D+01
                91            92            93            94            95 
      1  -0.245991D+00  0.311872D+00  0.117192D+01  0.500852D+00  0.579980D+00
      2   0.311872D+00  0.591568D+00  0.505031D-01  0.579980D+00 -0.453895D+00
      3   0.117192D+01  0.505031D-01  0.712855D-01  0.633127D-01  0.974005D+00
                96            97            98            99           100 
      1   0.633127D-01  0.215094D+01 -0.478933D-01  0.492448D+00  0.713731D+01
      2   0.974005D+00 -0.478933D-01  0.200406D+01  0.262875D+00  0.264575D+01
      3  -0.388633D+00  0.492448D+00  0.262875D+00  0.967234D+01 -0.105799D+01
               101           102           103           104           105 
      1   0.264575D+01 -0.105799D+01  0.114324D+01  0.357088D+01  0.113954D+00
      2   0.372597D+01  0.139893D+00  0.357088D+01 -0.376256D+01 -0.172997D+01
      3   0.139893D+00 -0.513961D+00  0.113954D+00 -0.172997D+01 -0.164059D+01
               106           107           108           109           110 
      1  -0.258922D+01 -0.721498D+00  0.139399D+01  0.483114D+00 -0.396126D+01
      2  -0.721498D+00 -0.355381D+01  0.606207D+00 -0.396126D+01  0.768764D+00
      3   0.139399D+01  0.606207D+00 -0.123460D+00  0.222494D+01 -0.633107D+00
               111           112           113           114           115 
      1   0.222494D+01 -0.418974D+01 -0.257285D+01  0.365995D-01  0.383272D+01
      2  -0.633107D+00 -0.257285D+01  0.887978D+01  0.187819D+01 -0.559890D-01
      3   0.181606D+01  0.365995D-01  0.187819D+01 -0.500892D+00 -0.240010D+00
               116           117           118           119           120 
      1  -0.559890D-01 -0.240010D+00  0.932482D+00 -0.723044D+00 -0.128939D+01
      2   0.220222D+01  0.158279D+01 -0.723044D+00 -0.130254D+00 -0.851889D-01
      3   0.158279D+01 -0.105954D+02 -0.128939D+01 -0.851889D-01  0.914147D+00
               121           122           123           124           125 
      1  -0.811478D+00 -0.151328D+00 -0.102524D+00 -0.286349D+01 -0.187009D+00
      2  -0.151328D+00  0.299357D+00 -0.109620D+01 -0.187009D+00 -0.158470D+01
      3  -0.102524D+00 -0.109620D+01 -0.199736D+00  0.126126D+01 -0.556089D+00
               126           127           128           129           130 
      1   0.126126D+01 -0.451446D+01 -0.281861D+01 -0.131882D+00 -0.321711D+01
      2  -0.556089D+00 -0.281861D+01 -0.277199D+01 -0.471300D+00 -0.345842D+01
      3  -0.100271D+02 -0.131882D+00 -0.471300D+00  0.149692D+01 -0.510638D+00
               131           132           133           134           135 
      1  -0.345842D+01 -0.510638D+00 -0.927508D+00 -0.102703D+01  0.802258D+00
      2  -0.687634D+01 -0.178121D+00 -0.102703D+01 -0.163690D+01  0.502079D+00
      3  -0.178121D+00  0.122229D+01  0.802258D+00  0.502079D+00 -0.725298D+01
               136           137           138           139           140 
      1   0.102525D+00 -0.472709D+00 -0.133754D+01 -0.619932D+00 -0.672055D+00
      2  -0.472709D+00 -0.455830D+00 -0.134168D+00 -0.672055D+00 -0.355598D+00
      3  -0.133754D+01 -0.134168D+00 -0.135164D+00  0.101547D+00 -0.109466D+01
               141           142           143           144           145 
      1   0.101547D+00 -0.263673D+01 -0.396399D+00 -0.119938D+01 -0.631290D+01
      2  -0.109466D+01 -0.396399D+00 -0.170965D+01 -0.152345D+01  0.358260D+01
      3  -0.221900D+00 -0.119938D+01 -0.152345D+01 -0.101194D+02 -0.764394D+00
               146           147           148           149           150 
      1   0.358260D+01 -0.764394D+00  0.286188D+01 -0.224754D+01  0.219231D+00
      2  -0.449047D+01  0.183172D+00 -0.224754D+01  0.314018D+01 -0.300373D+00
      3   0.183172D+00 -0.153507D+01  0.219231D+00 -0.300373D+00  0.103656D+01
               151           152           153           154           155 
      1  -0.174590D+01  0.926388D+00 -0.746119D+00 -0.847715D+01 -0.237913D+01
      2   0.926388D+00 -0.137524D+01  0.694938D+00 -0.237913D+01 -0.231036D+01
      3  -0.746119D+00  0.694938D+00 -0.219272D+00  0.377005D+00  0.259973D+00
               156           157           158           159           160 
      1   0.377005D+00 -0.500378D+01 -0.182079D+01  0.200060D+00  0.204189D+01
      2   0.259973D+00 -0.182079D+01 -0.221120D+01  0.413636D+00  0.604628D+00
      3  -0.154111D+01  0.200060D+00  0.413636D+00 -0.837307D+00 -0.905771D+00
               161           162           163           164           165 
      1   0.604628D+00 -0.905771D+00 -0.268563D+00  0.617883D+00  0.240222D+00
      2   0.724828D+00 -0.247961D+00  0.617883D+00 -0.678391D+00 -0.116077D+00
      3  -0.247961D+00  0.129773D+00  0.240222D+00 -0.116077D+00  0.150806D+00
               166           167           168           169           170 
      1   0.269610D+01  0.982004D+00 -0.108394D+00  0.835125D+00  0.325927D-01
      2   0.982004D+00  0.998776D+01  0.972769D+00  0.325927D-01  0.239002D+01
      3  -0.108394D+00  0.972769D+00  0.172380D+01  0.170769D+00  0.100062D+01
               171           172           173           174           175 
      1   0.170769D+00  0.107354D+02  0.127259D+01 -0.159222D+01  0.146824D+00
      2   0.100062D+01  0.127259D+01  0.114925D+01  0.279590D+00  0.380753D+01
      3   0.304701D+00 -0.159222D+01  0.279590D+00 -0.207152D+00  0.164824D+00
               176           177           178           179           180 
      1   0.380753D+01  0.164824D+00 -0.345125D+01 -0.254714D+00  0.210743D+01
      2  -0.589345D+01 -0.655763D+00 -0.254714D+00 -0.800063D+00  0.806313D-01
      3  -0.655763D+00 -0.134453D+01  0.210743D+01  0.806313D-01 -0.532529D+00
               181           182           183           184           185 
      1   0.785015D+00 -0.118991D+01 -0.647931D+00 -0.255616D+01  0.272475D+01
      2  -0.118991D+01  0.704151D+00  0.118589D+00  0.272475D+01 -0.112102D+02
      3  -0.647931D+00  0.118589D+00  0.266052D+00  0.149928D+00 -0.114579D+01
               186           187           188           189           190 
      1   0.149928D+00 -0.145944D+01  0.523232D+00  0.494656D+00 -0.203292D-01
      2  -0.114579D+01  0.523232D+00 -0.231763D+01 -0.144195D+01  0.327489D+00
      3  -0.112908D+01  0.494656D+00 -0.144195D+01  0.170907D+00  0.115610D+01
               191           192           193           194           195 
      1   0.327489D+00  0.115610D+01  0.969347D+00  0.255728D+00 -0.247907D-01
      2   0.322722D-01  0.701122D-01  0.255728D+00 -0.105608D+01  0.989609D+00
      3   0.701122D-01 -0.260638D+00 -0.247907D-01  0.989609D+00  0.511981D+00
               196           197           198           199           200 
      1   0.236782D+01 -0.217393D+00  0.981889D+00 -0.111423D+01 -0.497643D+00
      2  -0.217393D+00  0.166460D+01 -0.159735D+01 -0.497643D+00 -0.557792D+00
      3   0.981889D+00 -0.159735D+01  0.107729D+02  0.697048D+00  0.276412D+00
               201           202           203           204           205 
      1   0.697048D+00 -0.427252D+00 -0.278918D+00  0.173693D+00  0.269355D+01
      2   0.276412D+00 -0.278918D+00 -0.950370D+00  0.582737D+00  0.127934D+01
      3  -0.766326D+00  0.173693D+00  0.582737D+00 -0.719073D+00 -0.215783D+01
               206           207           208           209           210 
      1   0.127934D+01 -0.215783D+01 -0.465900D-01  0.141252D+01  0.941177D-01
      2   0.307991D+01 -0.234170D+01  0.141252D+01 -0.737306D+00 -0.123158D+00
      3  -0.234170D+01  0.757872D+01  0.941177D-01 -0.123158D+00  0.697970D+00
               211           212           213           214           215 
      1   0.437569D+01 -0.127950D+01 -0.302695D+00  0.350057D+00 -0.241992D+00
      2  -0.127950D+01  0.705597D+01 -0.173672D-02 -0.241992D+00  0.495616D+00
      3  -0.302695D+00 -0.173672D-02  0.143453D+01  0.347120D+00  0.205094D+00
               216 
      1   0.347120D+00
      2   0.205094D+00
      3  -0.164340D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.128429D+01  0.225695D-01 -0.520915D+00 -0.185708D+01  0.227986D+01
      2   0.113059D+01 -0.147828D+00  0.139279D+01  0.105653D+01  0.195822D+01
      3  -0.129144D+01  0.128322D+01 -0.958001D+00  0.627065D+01 -0.765122D+00
                 6             7             8             9            10 
      1   0.156471D+01  0.775327D+00  0.448316D+01 -0.108123D+02 -0.762430D+00
      2   0.366288D+00 -0.280556D+01  0.145135D+00 -0.663044D+01 -0.318449D+01
      3  -0.102813D+00 -0.791021D+00 -0.227347D+01 -0.138509D+01 -0.368398D+01
                11            12            13            14            15 
      1  -0.236861D+01 -0.111249D+01 -0.345868D+00 -0.150580D+01 -0.171475D+01
      2  -0.391267D+00 -0.229546D+00  0.444723D+00 -0.140762D+01 -0.219045D+01
      3  -0.512207D+01 -0.725611D-01  0.472455D+00  0.244358D+01  0.263953D+01
                16            17            18            19            20 
      1  -0.109940D+01  0.245410D+01 -0.927346D+00 -0.214922D+01 -0.125407D+00
      2  -0.441701D+01 -0.111395D+01  0.159189D+02 -0.261486D+00  0.152070D+01
      3  -0.141713D+01  0.247122D+01  0.103014D+01  0.237407D+01 -0.392342D+01
                21            22            23            24            25 
      1   0.961746D+00 -0.138489D+01 -0.187935D+01 -0.724290D+00  0.820613D+00
      2  -0.457537D+00  0.447310D+00  0.129458D+01 -0.366210D+00 -0.457129D+01
      3   0.110424D-01  0.205525D+01 -0.442203D+01 -0.178969D+01  0.243237D+01
                26            27            28            29            30 
      1   0.222733D+01  0.666085D+01 -0.218675D+01  0.896477D+00  0.132672D+01
      2   0.380154D+00 -0.620000D+01 -0.215805D+01  0.133542D+01 -0.348384D+01
      3  -0.104011D+01 -0.547907D+00 -0.786403D+01 -0.929872D+01  0.428890D+00
                31            32            33            34            35 
      1  -0.468173D+00  0.246017D+00 -0.119519D+00 -0.237906D-01  0.328539D+01
      2  -0.628960D+00 -0.130857D+01 -0.361786D+01 -0.541898D+01  0.650657D+00
      3  -0.565137D+01  0.701327D+01  0.209479D+01  0.897770D+00  0.110280D+01
                36            37            38            39            40 
      1   0.532276D+01  0.241507D+01 -0.341622D+00 -0.131445D+01  0.406477D+00
      2   0.175904D+02  0.115995D+01  0.352055D+00  0.134570D+02 -0.159051D+00
      3   0.787865D+00 -0.402614D+01 -0.201190D+01 -0.181054D+01  0.205401D+02
                41            42            43            44            45 
      1   0.838000D+00 -0.550097D+01  0.196969D+01  0.284669D+01  0.977478D-01
      2  -0.234198D+00  0.810071D+00 -0.808153D+01 -0.138080D+01  0.137557D+01
      3   0.230925D+01  0.197975D+00 -0.575225D+01 -0.518720D+00 -0.464776D+00
                46            47            48            49            50 
      1  -0.315035D+00  0.412158D+00 -0.120800D+01 -0.643817D+00 -0.775516D-01
      2   0.828671D+00  0.144920D+00 -0.597449D+01 -0.558090D+00  0.204844D+01
      3   0.922952D+01  0.554015D+01  0.863286D+00 -0.362871D+00 -0.190123D+01
                51            52            53            54            55 
      1  -0.124888D+01 -0.222496D+01  0.306525D+01  0.110183D+02 -0.529593D+01
      2   0.426888D+01 -0.421344D+01 -0.177342D+01 -0.181368D+02 -0.403100D+01
      3  -0.244904D+01  0.278732D+01 -0.265625D+01  0.337111D+00  0.159241D+02
                56            57            58            59            60 
      1   0.228662D+01 -0.227972D+01  0.284858D+01 -0.467057D+01 -0.685905D+01
      2   0.338878D+01  0.117865D+01  0.109686D+01 -0.270524D+01 -0.133058D+00
      3  -0.611226D+01  0.325970D+01  0.430561D+01  0.998102D+01 -0.124637D-01
                61            62            63            64            65 
      1  -0.143696D+01  0.159168D+01 -0.361521D+01  0.119141D+01 -0.678764D-02
      2  -0.530014D+01 -0.106051D+00 -0.131180D+01  0.927927D+00 -0.452997D+00
      3   0.747646D+01  0.174910D+01  0.204605D+01  0.350663D+00 -0.186041D+01
                66            67            68            69            70 
      1  -0.439115D+00  0.117280D+00  0.131332D+01 -0.101803D+01 -0.300155D+00
      2   0.115725D+01 -0.313405D+00  0.461358D+00 -0.167436D+00 -0.452684D+01
      3  -0.116876D+01  0.676035D+00  0.223234D+00 -0.788657D+00 -0.283744D+01
                71            72            73            74            75 
      1   0.392005D+01  0.110915D+02 -0.959584D+00  0.477790D+00  0.182385D+01
      2  -0.591083D+00  0.630457D+01  0.843646D+01  0.227022D+01  0.420367D+01
      3  -0.121464D+01  0.107419D+01  0.135999D+02 -0.152487D+01 -0.136828D+01
                76            77            78            79            80 
      1  -0.189709D+01  0.172683D-01 -0.321964D+01  0.166432D+01  0.382975D+01
      2   0.240343D+01  0.348330D+01 -0.447963D+01 -0.211671D+01 -0.207720D+01
      3   0.790790D+01  0.156464D+02 -0.290227D+01 -0.185293D+01 -0.738474D+01
                81            82            83            84            85 
      1   0.713899D+00  0.182220D+00  0.285910D+00  0.137084D-01  0.641311D+00
      2   0.371673D+01 -0.186828D+01 -0.203304D+00  0.119457D+01  0.376528D-01
      3   0.127683D+01  0.895998D+00 -0.546586D+00  0.135479D+00  0.168404D+01
                86            87            88            89            90 
      1  -0.470517D+00 -0.186407D+01  0.349428D+00  0.470580D+01 -0.106532D+01
      2  -0.194620D+01  0.111562D+01 -0.344617D+01  0.366726D+00 -0.153115D+02
      3  -0.589864D+00  0.146655D+01  0.306121D+00  0.353425D+01  0.161569D-01
                91            92            93            94            95 
      1  -0.799179D+00  0.272975D+00  0.401170D+00  0.256104D+00 -0.116210D+01
      2   0.141560D+01  0.803955D-01  0.551699D+00  0.435712D+00  0.155883D+00
      3  -0.323628D+00 -0.120716D+01  0.868852D+00  0.128900D+01  0.239416D+00
                96            97            98            99           100 
      1  -0.832455D+00 -0.576085D+00  0.469723D+01 -0.746031D+01  0.234586D+01
      2  -0.594179D+00 -0.493652D+01  0.417451D+00  0.603288D+01 -0.199937D+01
      3  -0.408665D+00  0.134294D+01 -0.144132D+01 -0.853380D-01  0.910751D+01
               101           102           103           104           105 
      1   0.787578D-01 -0.216899D+01  0.144432D+01  0.618835D+01 -0.240945D+01
      2  -0.795150D+00  0.635650D+01  0.414294D+00 -0.302776D+01  0.601280D+00
      3  -0.112682D+02 -0.149471D+01 -0.289654D+00  0.147376D+02  0.347655D+01
               106           107           108           109           110 
      1  -0.180838D+01  0.462028D+01  0.247690D+01  0.205605D+01 -0.496267D+00
      2  -0.190923D+01  0.758778D+00 -0.201187D+01  0.362345D+01 -0.773678D+00
      3  -0.517100D+01  0.649807D+01  0.101533D+01  0.536808D+01  0.455190D+01
               111           112           113           114           115 
      1   0.289204D+01 -0.212597D+01  0.912511D+01 -0.559105D+00 -0.148808D+01
      2   0.854191D+00  0.201860D+00  0.455761D+01 -0.315835D+01 -0.462985D+01
      3  -0.125026D+01  0.141779D+02 -0.163438D+02 -0.431182D+01 -0.354093D+01
               116           117           118           119           120 
      1   0.386518D+01 -0.159280D+02 -0.432412D+00  0.715863D-01  0.744234D+00
      2   0.382014D+01 -0.218841D+02 -0.130629D+01 -0.536574D+00  0.239566D+01
      3  -0.530355D+01 -0.369419D+01  0.547170D+00 -0.178051D+00  0.117369D+01
               121           122           123           124           125 
      1  -0.980381D-01 -0.112691D+01 -0.936275D+00  0.413487D+00  0.420628D+01
      2   0.481360D-02 -0.137806D+01 -0.534544D-01 -0.429506D+01 -0.626884D+00
      3   0.237865D+01 -0.106928D+01  0.155947D+01  0.242349D+01  0.275604D+01
               126           127           128           129           130 
      1  -0.490560D+01 -0.571924D+00 -0.127555D+01  0.108558D+01  0.235396D+00
      2  -0.127807D+02 -0.332921D+00 -0.616271D+00  0.439107D+01  0.111042D+01
      3  -0.490553D+00  0.531440D+01 -0.722442D+01  0.627877D+00  0.728158D+01
               131           132           133           134           135 
      1   0.630772D+00 -0.527662D+01  0.457444D+01  0.426578D+01 -0.170422D+02
      2   0.916462D-02  0.450419D+00 -0.377809D+01 -0.235481D+01  0.150424D+02
      3  -0.778966D+01  0.290249D+00  0.146281D+00  0.621442D-01 -0.951788D+00
               136           137           138           139           140 
      1  -0.149610D+01 -0.331977D-01 -0.261708D+00  0.888565D+00 -0.136163D+01
      2   0.215425D+01 -0.843708D-01  0.100826D+01  0.157617D+00  0.116881D+01
      3  -0.860959D+00 -0.139779D+01  0.187191D+01  0.897488D+00  0.112887D+01
               141           142           143           144           145 
      1  -0.878127D+00 -0.695591D+00  0.351938D+01 -0.108761D+02  0.417453D+01
      2  -0.242287D+00 -0.387014D+01  0.162776D+01  0.143776D+02  0.369860D+01
      3  -0.166788D+01  0.369338D+01 -0.208410D+01  0.653761D+00 -0.163505D+02
               146           147           148           149           150 
      1  -0.214882D+01  0.460946D+01 -0.151068D+01  0.176590D+01 -0.250182D+01
      2  -0.234477D+01  0.332529D+01 -0.169495D+01  0.138908D+01 -0.187484D+01
      3   0.269110D+01 -0.244724D+01  0.565593D+01 -0.292956D+01  0.323357D+00
               151           152           153           154           155 
      1   0.249915D+01 -0.133774D+01  0.991917D+00  0.130580D+01  0.642515D+00
      2   0.107248D+01 -0.142163D+01  0.800080D+00 -0.479142D+01 -0.211807D+01
      3  -0.492174D+01  0.664661D+00 -0.134834D+01 -0.120022D+02 -0.102491D+02
               156           157           158           159           160 
      1  -0.347924D+00  0.106375D+01  0.255401D+00 -0.452718D+00 -0.321489D+00
      2   0.548209D+01 -0.317548D+01 -0.229153D+01  0.351188D+01  0.275339D+01
      3   0.115871D+01 -0.770666D+01 -0.113031D+02  0.169384D+01  0.292582D+01
               161           162           163           164           165 
      1   0.674844D+00  0.309910D+00 -0.434059D+00  0.597319D+00  0.201236D+00
      2   0.128038D+01 -0.889224D+00  0.676328D+00 -0.364669D+00 -0.101818D+00
      3   0.361117D+01 -0.117589D+01 -0.386085D+01  0.339782D+01  0.105652D+01
               166           167           168           169           170 
      1   0.133491D+00 -0.458578D+01 -0.481815D+01 -0.283715D+00 -0.203618D+01
      2  -0.385470D+00  0.176115D+01  0.243807D+01 -0.742641D+00  0.161943D+01
      3   0.649018D+01 -0.204016D+02 -0.266779D+01  0.258610D+01 -0.544721D+01
               171           172           173           174           175 
      1  -0.109619D+01 -0.115480D+01 -0.968589D+00 -0.216248D+01  0.101178D+01
      2   0.513851D+00 -0.427130D+01 -0.904461D+00  0.882998D+01  0.265659D+00
      3  -0.157590D+01 -0.112271D+02 -0.160556D+02  0.161737D+01 -0.121811D+02
               176           177           178           179           180 
      1   0.176314D+01 -0.439593D+01  0.245489D+01  0.460941D+01  0.475994D+00
      2  -0.167806D+01 -0.209396D+01  0.172687D+01  0.192353D+00 -0.368210D+01
      3   0.242616D+02  0.124007D+01  0.225719D+01  0.471855D+01 -0.233218D+01
               181           182           183           184           185 
      1  -0.171726D+01  0.589042D+00  0.841714D+00  0.113811D+01 -0.601675D+01
      2  -0.159224D+01  0.635770D+00  0.174189D+01  0.481528D+00 -0.285044D+01
      3   0.187465D+01 -0.129113D+01  0.744621D+00  0.792691D+00  0.232539D+02
               186           187           188           189           190 
      1  -0.543848D+01  0.110748D+01 -0.204692D+01 -0.578065D+00  0.213356D+01
      2  -0.308484D+01  0.533524D+00 -0.341688D+01  0.240724D+00  0.351860D+01
      3   0.262056D+01  0.214468D+01  0.454708D+01  0.267813D+01  0.507406D-01
               191           192           193           194           195 
      1   0.235791D-01 -0.240734D+00 -0.677535D-01  0.847767D+00  0.456687D+00
      2  -0.103178D+00  0.187163D+00 -0.827031D+00  0.255313D+01  0.119853D+01
      3  -0.151687D+01 -0.165718D+01 -0.114652D+01  0.190803D+01 -0.208308D+01
               196           197           198           199           200 
      1   0.790466D+00  0.270181D+01  0.151054D+02  0.145953D+01  0.750168D+00
      2  -0.329993D+01 -0.336787D+01  0.247758D+02 -0.211893D+01 -0.897694D+00
      3  -0.291436D+01 -0.378159D+01  0.328545D+01  0.103720D+01 -0.250508D+00
               201           202           203           204           205 
      1  -0.186318D+01  0.414122D+00  0.202979D+01 -0.130250D+01 -0.570106D+01
      2   0.162387D+01 -0.707018D+00 -0.145974D+01  0.159536D+01  0.230868D+01
      3  -0.105398D+01  0.357716D+00 -0.938701D+00  0.878816D+00 -0.344291D+01
               206           207           208           209           210 
      1  -0.301752D+01  0.191191D+02 -0.273629D+00  0.357387D+00 -0.981750D+00
      2   0.513526D+01 -0.168750D+02  0.491012D-04  0.116596D+00  0.569306D+00
      3   0.339960D+01  0.314748D+00 -0.491407D+01  0.553418D+01  0.353347D+00
               211           212           213           214           215 
      1   0.145343D+00 -0.355431D+01  0.395721D+00 -0.728756D+00  0.909643D+00
      2  -0.108963D+00 -0.553314D+00  0.570017D+01 -0.176102D+00  0.110699D+01
      3   0.824529D+01 -0.339628D+02  0.356348D+00  0.122182D+01 -0.196897D+01
               216 
      1   0.326203D-01
      2  -0.629885D+00
      3  -0.463826D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.311407D+01 -0.866933D+01 -0.528705D+00 -0.625027D+01  0.144292D+02
      2   0.186397D+01  0.121602D+02 -0.743052D+00  0.749436D+01 -0.278404D+02
      3  -0.497804D+01 -0.349083D+01  0.127176D+01 -0.124409D+01  0.134111D+02
      4  -0.429059D+01 -0.287037D+01 -0.854190D+00 -0.101275D+02  0.104303D+02
      5   0.217179D+01 -0.137846D+01 -0.824419D+00 -0.405795D+01  0.194833D+01
      6   0.921492D+00  0.251172D+01  0.979909D+00  0.336135D+01 -0.826505D+01
                 6             7             8             9            10 
      1   0.288847D+01  0.167645D+01  0.431527D+01  0.130106D+02 -0.247562D+02
      2  -0.112818D+01 -0.363438D+00 -0.126771D+02  0.534652D+01  0.120058D+02
      3  -0.176029D+01 -0.131301D+01  0.836183D+01 -0.183571D+02  0.127504D+02
      4   0.281567D+01 -0.229223D+01  0.394288D+01  0.993196D+00  0.130396D+02
      5   0.118338D+01  0.138654D+01  0.201938D+01 -0.146798D+02 -0.959097D+01
      6  -0.108876D+02  0.262227D+00 -0.460346D+01  0.289192D+02  0.332608D+00
                11            12            13            14            15 
      1   0.634778D+01 -0.225024D+01  0.125144D+02  0.795619D+01  0.178576D+01
      2  -0.389430D+00  0.474078D+01 -0.718703D+01 -0.193050D+01 -0.202169D+01
      3  -0.595835D+01 -0.249054D+01 -0.532734D+01 -0.602569D+01  0.235922D+00
      4  -0.498155D+01  0.132532D+01  0.639716D+01 -0.570209D+01 -0.220794D+01
      5   0.107998D+01 -0.655908D+01  0.366782D+01 -0.403440D+00 -0.385023D+01
      6  -0.262184D+01  0.267811D+01 -0.143543D+01  0.478254D+00 -0.689973D-01
                16            17            18            19            20 
      1  -0.129498D+02  0.316731D+01  0.636794D+01 -0.101789D+02  0.103620D+01
      2   0.399917D+01 -0.252749D+01  0.112433D+02  0.230656D+01 -0.819136D+01
      3   0.895061D+01 -0.639823D+00 -0.176113D+02  0.787234D+01  0.715516D+01
      4   0.748445D+01 -0.366107D+01 -0.262141D+01 -0.847235D+01 -0.114399D+02
      5  -0.426549D+01 -0.258327D+01  0.405715D+02  0.325905D+01  0.226211D+01
      6   0.439782D+00  0.391389D+00  0.130617D+01 -0.110879D+00  0.228612D+01
                21            22            23            24            25 
      1  -0.147299D+01 -0.867587D+01 -0.444395D+01 -0.259820D+01  0.399448D+01
      2  -0.183020D+01  0.130431D+01  0.324373D+01  0.371075D+00  0.129160D+01
      3   0.330319D+01  0.737157D+01  0.120022D+01  0.222712D+01 -0.528608D+01
      4   0.114362D+01 -0.130698D+02 -0.313022D+01  0.323160D+00  0.478535D+01
      5  -0.660806D+01  0.284096D+01  0.862884D+00 -0.145585D+01 -0.104201D+00
      6  -0.286814D+01  0.220485D+00  0.422296D+01 -0.259513D+01 -0.110272D+01
                26            27            28            29            30 
      1   0.737570D+00  0.933760D+01 -0.114667D+02  0.133652D+02 -0.590554D+01
      2   0.146044D+01  0.120228D+02  0.422560D+01 -0.107999D+02  0.167985D+00
      3  -0.219801D+01 -0.213604D+02  0.724105D+01 -0.256530D+01  0.573756D+01
      4   0.512939D+01 -0.229413D+00 -0.189475D+01 -0.100323D+02  0.347218D+01
      5  -0.153632D+00 -0.155993D+02 -0.532335D+01  0.215176D+01 -0.126388D+02
      6   0.241311D+01 -0.169733D+02  0.481918D+01 -0.115101D+01  0.131686D+00
                31            32            33            34            35 
      1   0.920503D+01  0.673952D+01 -0.433053D+01 -0.326033D+01 -0.907266D+00
      2  -0.609087D+01 -0.626312D+01 -0.346601D-02 -0.305069D+01  0.287254D+01
      3  -0.311416D+01 -0.476395D+00  0.433400D+01  0.631103D+01 -0.196528D+01
      4  -0.880477D+01 -0.177210D+02 -0.210835D+01  0.172683D+01 -0.314162D+01
      5   0.114946D+00 -0.122036D+01 -0.673960D+01 -0.458391D+01 -0.217038D+00
      6  -0.858506D+00  0.188818D+01 -0.419320D+01  0.873584D+00 -0.894668D+00
                36            37            38            39            40 
      1   0.958177D+01  0.488349D+01 -0.258519D+01 -0.797988D+00  0.231520D+00
      2   0.105020D+02 -0.156514D+01  0.236808D+01 -0.127305D+00  0.959451D+00
      3  -0.200837D+02 -0.331834D+01  0.217109D+00  0.925293D+00 -0.119097D+01
      4   0.424152D+00 -0.260628D+01  0.214365D+02 -0.164331D+01  0.180370D+02
      5   0.340226D+02  0.203533D+01  0.898398D-01  0.257366D+02 -0.168561D+01
      6  -0.133689D+02 -0.201109D+01  0.230992D+01  0.297439D+01 -0.283944D+00
                41            42            43            44            45 
      1  -0.189419D+02  0.556749D+01  0.129727D+01  0.432295D+01 -0.106108D+02
      2   0.257094D+02 -0.124348D+01 -0.238371D+01 -0.461091D+01 -0.276171D+01
      3  -0.676753D+01 -0.432401D+01  0.108644D+01  0.287963D+00  0.133725D+02
      4   0.386808D+01 -0.269794D+00 -0.841701D+01 -0.192388D+00 -0.143395D+01
      5  -0.101822D+01  0.248320D+01  0.688484D+01  0.964601D-01  0.261593D+01
      6  -0.434784D+01  0.754251D+01 -0.870330D+00  0.937741D+01  0.854142D+00
                46            47            48            49            50 
      1  -0.140763D+02  0.208267D+01  0.498493D+01 -0.998196D+01 -0.244340D+01
      2   0.808283D+01 -0.835683D+01 -0.148131D+01 -0.747559D+00 -0.743311D+01
      3   0.599349D+01  0.627416D+01 -0.350362D+01  0.107295D+02  0.987651D+01
      4   0.292087D+01 -0.269747D+02 -0.171874D+01 -0.229958D+02 -0.505492D+01
      5   0.378713D+00 -0.116555D+01 -0.156739D+02  0.124058D+01  0.751242D+00
      6  -0.506490D+00 -0.287427D+01 -0.162833D+01  0.200899D+00  0.180023D+01
                51            52            53            54            55 
      1  -0.256584D+01  0.591194D+01 -0.216793D+01  0.153285D+02 -0.280147D+01
      2  -0.303354D+00  0.170088D+01  0.966339D+01  0.112272D+02 -0.540123D+01
      3   0.286919D+01 -0.761282D+01 -0.749546D+01 -0.265557D+02  0.820271D+01
      4   0.167866D+01  0.341191D+01  0.317705D+01  0.741311D+00  0.232123D+02
      5   0.677143D+01 -0.358773D+01 -0.145678D+01 -0.356300D+02 -0.346198D+01
      6  -0.288809D+01  0.187173D+00 -0.289857D+01 -0.290983D+02  0.850562D+01
                56            57            58            59            60 
      1   0.451837D+00 -0.290440D+01  0.351901D+01 -0.378408D+02 -0.737383D+01
      2   0.590855D+01  0.521392D+00 -0.703930D+00  0.566183D+02  0.583327D+01
      3  -0.636039D+01  0.238301D+01 -0.281508D+01 -0.187776D+02  0.154056D+01
      4  -0.505311D+01  0.750529D+01  0.301973D+01 -0.148627D+02 -0.528757D+01
      5   0.154647D+01  0.516043D+01  0.235218D+01 -0.361282D+01 -0.143962D+01
      6  -0.327932D+01  0.288186D+01 -0.381454D+01  0.138010D+02  0.147270D+02
                61            62            63            64            65 
      1  -0.211524D+01 -0.113974D+02 -0.118375D+02 -0.308506D-01  0.770357D+00
      2  -0.260272D+01  0.193861D+02  0.322358D+01 -0.362197D+01 -0.104445D+01
      3   0.471796D+01 -0.798865D+01  0.861389D+01  0.365282D+01  0.274094D+00
      4   0.136718D+02 -0.124916D+02 -0.212792D+01  0.988858D+00  0.264472D+01
      5   0.507114D+01 -0.425439D+01 -0.307200D+01  0.124526D+01 -0.939906D+00
      6  -0.170575D+00  0.172513D+02  0.783158D+01 -0.349062D+01 -0.692329D+00
                66            67            68            69            70 
      1   0.201890D+01  0.581056D+00 -0.516584D+01  0.337927D+01  0.244252D+01
      2  -0.712192D+00 -0.899312D+00  0.398481D+01 -0.356886D+01 -0.664299D+00
      3  -0.130671D+01  0.318256D+00  0.118103D+01  0.189589D+00 -0.177822D+01
      4  -0.287274D+01  0.247522D+01 -0.175588D+01  0.137457D+01 -0.415629D+01
      5   0.739416D+01  0.401904D-01  0.127567D+01 -0.440231D+00  0.472656D+01
      6   0.118284D+01 -0.225889D+00 -0.384065D+01  0.823792D+01 -0.305942D+00
                71            72            73            74            75 
      1   0.594308D+01 -0.195051D+02  0.231216D+02 -0.254313D+02  0.933530D+01
      2  -0.518875D+01 -0.144513D+02 -0.128883D+02  0.121708D+02 -0.881496D+01
      3  -0.754334D+00  0.339565D+02 -0.102333D+02  0.132605D+02 -0.520338D+00
      4   0.330930D+01 -0.858847D+00 -0.307382D+02  0.954004D+01  0.323630D+00
      5  -0.151843D+01  0.126750D+02  0.154843D+02  0.104453D+01  0.972303D+01
      6   0.798293D+01 -0.278404D+02 -0.309019D+01  0.104450D+01 -0.292666D+01
                76            77            78            79            80 
      1  -0.450696D+02 -0.647246D+01  0.184757D+01  0.271812D+02  0.216370D+01
      2   0.251125D+02  0.941961D+01 -0.187585D+00 -0.169343D+02 -0.148719D+01
      3   0.199571D+02 -0.294715D+01 -0.165998D+01 -0.102470D+02 -0.676511D+00
      4   0.937256D+01 -0.199282D+02  0.678772D+01 -0.303448D+01  0.992645D+01
      5  -0.854337D+00  0.720706D+01 -0.694982D+01  0.172054D+02 -0.476992D+01
      6   0.706775D+00 -0.188566D+01  0.764724D+01 -0.262739D+01  0.594992D+01
                81            82            83            84            85 
      1   0.218236D+01  0.372363D+01 -0.150134D+01 -0.450394D+01 -0.109996D+01
      2  -0.959551D+01 -0.510549D+01  0.652309D+00  0.301418D+01  0.431932D+00
      3   0.741315D+01  0.138186D+01  0.849032D+00  0.148976D+01  0.668031D+00
      4  -0.500570D+01 -0.143218D+01  0.147099D+01  0.193634D+00  0.168104D+01
      5   0.799241D+01 -0.465136D+01 -0.454694D+00  0.812908D+01 -0.708599D+00
      6  -0.156728D+01  0.275332D+00 -0.203841D-01  0.367027D+00 -0.120420D+01
                86            87            88            89            90 
      1  -0.408029D+01  0.285333D+00 -0.773593D+01  0.420221D-01 -0.154854D+02
      2   0.303299D+00  0.937100D+00  0.660310D+01  0.516256D+00 -0.184073D+02
      3   0.377700D+01 -0.122243D+01  0.113283D+01 -0.558278D+00  0.338927D+02
      4   0.207973D+01 -0.480872D+01  0.315010D-01 -0.610323D+01  0.131169D+01
      5  -0.487655D+01  0.236012D+01  0.894420D+01  0.169507D+01 -0.360224D+02
      6  -0.262534D+00  0.881548D+01 -0.111755D+00  0.527917D+01  0.158334D+01
                91            92            93            94            95 
      1   0.597735D+00 -0.405015D+00  0.213335D+01 -0.392397D+00 -0.244292D+01
      2  -0.323089D+01  0.926524D+00 -0.955424D+00  0.765332D+00 -0.852904D+00
      3   0.263315D+01 -0.521509D+00 -0.117793D+01 -0.372935D+00  0.329582D+01
      4   0.116142D+00  0.295226D+01  0.155726D+01  0.352094D+01  0.348322D+00
      5   0.205272D+01 -0.829584D-01  0.678689D+01 -0.419764D+00  0.142341D+01
      6   0.181794D+01 -0.207534D+00 -0.555331D+00  0.255324D+00  0.143184D+01
                96            97            98            99           100 
      1  -0.801206D+00  0.263633D+01 -0.218665D+01 -0.196373D+02  0.295040D+02
      2   0.250804D+01 -0.238244D+01  0.332369D+01 -0.180033D+02 -0.122429D+02
      3  -0.170683D+01 -0.253894D+00 -0.113704D+01  0.376405D+02 -0.172611D+02
      4   0.170603D+01  0.305428D+01  0.323205D+01  0.863371D+00  0.242249D+02
      5  -0.850564D+00  0.589998D+01  0.534992D+00  0.145756D+02 -0.444868D+01
      6   0.719462D+01  0.818372D+00  0.534189D+01  0.159994D+02 -0.337422D+01
               101           102           103           104           105 
      1  -0.349263D+01 -0.194978D+01  0.508654D+00  0.166317D+02  0.649147D+01
      2   0.118450D+02  0.377149D+01  0.457306D+01 -0.178701D+02 -0.680233D+01
      3  -0.835232D+01 -0.182171D+01 -0.508171D+01  0.123844D+01  0.310863D+00
      4   0.257997D+02 -0.254738D+01  0.212343D+02 -0.336156D+01 -0.469345D+01
      5  -0.784342D+00  0.125189D+02 -0.112608D+01 -0.682072D+01  0.880938D+00
      6  -0.364129D+00  0.395768D+01 -0.579995D+00 -0.964642D+01  0.689900D+01
               106           107           108           109           110 
      1  -0.726830D+01  0.813892D+01 -0.163930D+01 -0.170423D+02 -0.132121D+02
      2   0.282660D+01 -0.132118D+02 -0.556512D+01  0.133843D+02  0.591658D+01
      3   0.444170D+01  0.507286D+01  0.720442D+01  0.365795D+01  0.729549D+01
      4  -0.807822D+01 -0.119041D+02  0.475044D+01 -0.150900D+02  0.149061D+01
      5   0.106149D+02  0.275791D+01 -0.348028D+01  0.139179D+02 -0.332974D+01
      6   0.587809D+01  0.678266D+01 -0.475464D+01 -0.826461D+01  0.517591D+01
               111           112           113           114           115 
      1   0.289414D+01 -0.351308D+02  0.132004D+02  0.217642D+01  0.235437D+02
      2  -0.570860D+01  0.266994D+02 -0.353721D+02 -0.961111D+01 -0.101049D+02
      3   0.281446D+01  0.843132D+01  0.221717D+02  0.743470D+01 -0.134387D+02
      4  -0.683570D+01 -0.902906D+01  0.407978D+02  0.779307D+01 -0.223321D+01
      5  -0.318413D+01  0.212962D+01  0.806455D+01 -0.633937D+01 -0.212513D+01
      6  -0.583907D+01  0.813054D+00 -0.525103D+01 -0.107969D+01  0.777682D+00
               116           117           118           119           120 
      1   0.164542D+01  0.203631D+02  0.292701D+01 -0.205980D+01 -0.259810D+01
      2  -0.724389D+01  0.725893D+01 -0.445086D+01  0.126068D+01  0.178166D+01
      3   0.559847D+01 -0.276220D+02  0.152385D+01  0.799119D+00  0.816446D+00
      4   0.109498D+02  0.765436D+01 -0.260859D+01  0.309459D+01  0.101171D+01
      5   0.742042D+01 -0.465681D+02 -0.315811D+01 -0.486499D+00  0.100646D+02
      6  -0.450848D+01  0.229593D+02  0.133800D+01  0.316074D+00 -0.995050D+00
               121           122           123           124           125 
      1  -0.172497D+01 -0.449696D+01 -0.904438D+00 -0.545787D+01 -0.103753D+01
      2   0.561382D+00  0.138119D+01  0.137702D+01  0.721730D+01  0.809736D+00
      3   0.116359D+01  0.311578D+01 -0.472582D+00 -0.175944D+01  0.227790D+00
      4   0.342155D+01  0.494619D+00 -0.209197D+01  0.374266D+01 -0.303482D+01
      5   0.628985D-01 -0.304830D+01  0.673183D+00  0.868923D+01 -0.124118D+01
      6  -0.455798D+00  0.169467D+01  0.851444D+01 -0.150206D+01  0.601527D+01
               126           127           128           129           130 
      1  -0.198439D+02  0.219290D+02  0.368589D+01  0.297419D+00  0.696346D+01
      2  -0.172070D+02 -0.243728D+01  0.923679D+01  0.115199D+01  0.733559D+01
      3   0.370508D+02 -0.194917D+02 -0.129227D+02 -0.144941D+01 -0.142991D+02
      4  -0.168261D+01  0.260270D+02  0.322065D+02  0.146862D+01  0.324824D+02
      5  -0.256849D+02 -0.475502D+00  0.620230D+00  0.607090D+01  0.739135D+00
      6   0.126922D+02  0.652035D+00  0.841156D+00 -0.665256D+00  0.130254D+01
               131           132           133           134           135 
      1  -0.101317D+02  0.161636D+01 -0.511649D+00 -0.132893D+01 -0.974162D+00
      2   0.348319D+02  0.180469D+00  0.191424D+00  0.140020D+01  0.234638D+01
      3  -0.247001D+02 -0.179683D+01  0.320225D+00 -0.712672D-01 -0.137222D+01
      4   0.367302D+02  0.146947D+01  0.531028D+01  0.613500D+01 -0.390728D+01
      5   0.810006D+00  0.131134D+01  0.141468D+01 -0.159456D+01  0.274376D+02
      6  -0.109356D+01  0.836844D+01 -0.258890D+01  0.326770D+01  0.282699D+02
               136           137           138           139           140 
      1   0.473669D-01  0.874829D+00  0.382490D+01 -0.231636D+00 -0.352010D+01
      2  -0.280157D+01 -0.164902D+00 -0.137987D+01  0.123510D+01  0.163553D+01
      3   0.275421D+01 -0.709928D+00 -0.244503D+01 -0.100347D+01  0.188457D+01
      4   0.153946D+01  0.464339D+01  0.328774D+01  0.506142D+01  0.160992D+01
      5   0.378698D+01  0.696002D+00  0.840667D+01 -0.307916D+00  0.285271D+01
      6   0.363214D+01 -0.174323D+00  0.352173D+00  0.314396D-01  0.383624D+01
               141           142           143           144           145 
      1  -0.247827D+01  0.322648D+01 -0.451499D+01 -0.207062D+02  0.105569D+02
      2   0.355615D+01 -0.393670D+01  0.240423D+01 -0.157267D+02  0.745775D+01
      3  -0.107787D+01  0.710226D+00  0.211076D+01  0.364329D+02 -0.180146D+02
      4   0.216648D+01  0.651109D+01  0.621163D+01  0.388711D+01 -0.349645D+02
      5  -0.880619D+00  0.910472D+01  0.414193D+01  0.276997D+02  0.671674D+00
      6   0.808880D+01  0.333303D+01  0.947702D+01  0.275682D+02 -0.438433D+01
               146           147           148           149           150 
      1   0.212846D+01  0.239367D+01 -0.108733D+01 -0.256458D+01  0.152097D+00
      2  -0.170328D+02  0.813508D+00 -0.806374D+01  0.135618D+02 -0.209507D+01
      3   0.149043D+02 -0.320718D+01  0.915107D+01 -0.109972D+02  0.194297D+01
      4   0.262418D+02 -0.432672D+01  0.187294D+02 -0.159468D+02  0.223589D+01
      5   0.808823D-01  0.367944D+01  0.430808D+00  0.678743D+00 -0.276588D+01
      6   0.154244D+01 -0.723058D+01  0.151541D+01 -0.134883D+01  0.413089D+01
               151           152           153           154           155 
      1   0.207129D+01  0.118326D+01  0.118485D+00  0.579292D+02  0.171909D+02
      2   0.196067D+01 -0.495370D+01  0.160651D+01 -0.316997D+02 -0.988266D+01
      3  -0.403196D+01  0.377044D+01 -0.172499D+01 -0.262295D+02 -0.730826D+01
      4  -0.909515D+01  0.657126D+01 -0.487370D+01  0.116641D+02  0.129345D+02
      5   0.340437D+01 -0.209556D+01  0.150567D+01 -0.226352D+01 -0.132310D+01
      6  -0.455434D+01  0.448176D+01 -0.144514D+01  0.136866D+01  0.130874D+01
               156           157           158           159           160 
      1  -0.442277D+01  0.337091D+02  0.120903D+02 -0.220304D+01 -0.128940D+02
      2   0.151366D+01 -0.190494D+02 -0.538765D+01  0.792839D+00  0.754774D+01
      3   0.290911D+01 -0.146597D+02 -0.670261D+01  0.141020D+01  0.534623D+01
      4  -0.139523D+01  0.116903D+02  0.121551D+02 -0.243191D+01 -0.303247D+01
      5   0.873459D+01 -0.158661D+01 -0.251874D+01  0.516614D+01  0.734249D+01
      6  -0.352752D+00  0.105678D+01  0.631398D+00 -0.271576D+00  0.127341D-01
               161           162           163           164           165 
      1  -0.420249D+01  0.565484D+01 -0.625897D+00  0.421652D+01  0.115810D+01
      2   0.243526D+01 -0.372154D+01  0.246215D+01 -0.453155D+01 -0.104118D+01
      3   0.176723D+01 -0.193329D+01 -0.183626D+01  0.315029D+00 -0.116924D+00
      4  -0.356505D+01  0.171682D+01 -0.618904D+00  0.122882D+01  0.671569D+00
      5   0.234522D+01 -0.143872D+01  0.308118D+00 -0.337517D+00 -0.201199D+00
      6   0.766185D+00 -0.665629D+00  0.131835D+01 -0.802936D+00  0.186945D+00
               166           167           168           169           170 
      1   0.540360D+01 -0.277145D+02 -0.304492D+01  0.180434D+01 -0.731336D+01
      2  -0.136646D+00  0.475362D+02  0.548184D+01 -0.734944D+00  0.105058D+02
      3  -0.526695D+01 -0.198217D+02 -0.243692D+01 -0.106940D+01 -0.319240D+01
      4   0.921633D+01  0.296827D+02  0.291169D+01  0.174628D+01  0.685269D+01
      5   0.920181D-02  0.427516D+01  0.464436D+01  0.975120D+00  0.330866D+01
      6   0.168769D+00  0.571642D+01  0.672227D+01  0.570721D+00  0.662193D+01
               171           172           173           174           175 
      1  -0.320255D+01  0.875605D+02  0.408734D+01 -0.553895D+01  0.359467D+01
      2   0.438883D+01 -0.515899D+02 -0.111305D+01  0.748139D+01 -0.412299D+01
      3  -0.118628D+01 -0.359706D+02 -0.297429D+01 -0.194244D+01  0.528323D+00
      4   0.294513D+01 -0.406370D+01  0.162056D+02  0.300591D+01  0.262507D+02
      5   0.755460D+00 -0.124035D+02  0.134267D+01  0.169045D+02 -0.177090D+00
      6   0.240753D+01  0.361125D+01 -0.212398D+01  0.245217D+01 -0.142842D+01
               176           177           178           179           180 
      1   0.157717D+02  0.320946D+01 -0.235667D+02  0.492739D-01  0.701454D+01
      2  -0.232196D+01  0.128441D+01  0.144028D+02 -0.590944D+00 -0.138523D+02
      3  -0.134498D+02 -0.449386D+01  0.916390D+01  0.541670D+00  0.683772D+01
      4  -0.322909D+02 -0.455291D+01  0.134252D+01 -0.588741D+01 -0.130569D+01
      5  -0.514319D+01 -0.353900D+01  0.225899D+02  0.103368D+01 -0.777050D+01
      6   0.104295D+01  0.101425D+02 -0.233668D+01  0.516296D+01 -0.105332D+01
               181           182           183           184           185 
      1   0.388180D+01 -0.628988D+01 -0.327920D+01 -0.628873D+01 -0.209559D+02
      2   0.289335D+01  0.964041D+00  0.108149D+01 -0.473387D+01  0.502449D+02
      3  -0.677515D+01  0.532584D+01  0.219772D+01  0.110226D+02 -0.292890D+02
      4  -0.927077D+01  0.121591D+02  0.199618D+01  0.215631D+02 -0.558580D+02
      5  -0.294866D+01  0.702767D+00  0.312583D+01  0.613517D+00 -0.485876D+01
      6   0.211947D+01 -0.607117D+00 -0.127217D+01 -0.147257D+00  0.349628D+01
               186           187           188           189           190 
      1  -0.244873D+01 -0.581838D+01 -0.420858D+01 -0.423303D+01  0.103066D+01
      2   0.556843D+01  0.125650D+01  0.886599D+01  0.343576D+01 -0.431757D+01
      3  -0.311970D+01  0.456188D+01 -0.465740D+01  0.797267D+00  0.328692D+01
      4  -0.532384D+01  0.552030D+01 -0.112714D+02 -0.726881D+01  0.102428D+01
      5  -0.615676D+01  0.369292D+01 -0.730690D+01  0.815278D+00  0.580494D+01
      6   0.773754D+01 -0.206678D+01  0.836689D+01  0.223433D+01 -0.219799D+01
               191           192           193           194           195 
      1   0.136172D+01  0.790139D+01  0.561542D+01 -0.503557D+01  0.124304D+01
      2  -0.134175D+01 -0.379941D+01 -0.432345D+01  0.430905D+01 -0.228383D+01
      3  -0.199628D-01 -0.410198D+01 -0.129197D+01  0.726519D+00  0.104079D+01
      4   0.188792D+01 -0.241001D+01  0.139668D+01 -0.562092D+01  0.447038D+01
      5  -0.651127D+00  0.668801D+01 -0.209474D+00  0.477584D+01  0.267031D+01
      6  -0.915937D+00  0.941703D+00  0.256336D+00 -0.193676D+01  0.503345D+01
               196           197           198           199           200 
      1   0.105879D+02  0.484188D+01 -0.236306D+02  0.306077D+01  0.103962D+01
      2  -0.751787D+01 -0.253327D+01 -0.147536D+02 -0.168870D+01  0.959963D+00
      3  -0.307004D+01 -0.230862D+01  0.383843D+02 -0.137207D+01 -0.199958D+01
      4  -0.502037D+01  0.748743D+01 -0.795442D+01  0.533171D+01  0.355367D+01
      5   0.107441D+02 -0.801202D+01  0.517389D+02 -0.360516D+01 -0.165419D+01
      6  -0.262347D+01  0.100357D+02 -0.251801D+02 -0.304123D+01 -0.116900D+01
               201           202           203           204           205 
      1  -0.290207D+01  0.143852D+01 -0.283593D+01  0.116997D+01 -0.638148D+01
      2   0.133741D+01  0.207608D+00  0.425225D+01 -0.297807D+01  0.328107D+01
      3   0.156466D+01 -0.164613D+01 -0.141633D+01  0.180810D+01  0.310041D+01
      4  -0.374463D+01  0.259838D+01  0.393761D+01 -0.299082D+01 -0.120761D+02
      5   0.488581D+01 -0.796898D+00 -0.244928D+01  0.280950D+01  0.111818D+02
      6   0.309775D+01 -0.122386D+01 -0.304016D+01  0.421526D+01  0.924620D+01
               206           207           208           209           210 
      1   0.499841D+01 -0.517190D+01 -0.185985D+01  0.694957D+01  0.118891D+01
      2  -0.805761D+01 -0.370249D+01  0.284448D+01 -0.249193D+01 -0.321603D+00
      3   0.305920D+01  0.887438D+01 -0.984633D+00 -0.445764D+01 -0.867309D+00
      4  -0.136002D+02  0.128510D+02  0.741833D+01 -0.206569D+01 -0.394965D+00
      5   0.950425D+01 -0.314526D+02  0.521280D+00 -0.810108D+00  0.987888D+00
      6   0.121675D+02 -0.327362D+02 -0.240435D+00 -0.332507D+00  0.214911D+01
               211           212           213           214           215 
      1   0.316778D+02 -0.511435D+01 -0.187640D+01  0.204755D+01 -0.109663D+01
      2  -0.186789D+02  0.300404D+01  0.196179D+01 -0.114104D+01  0.626361D+00
      3  -0.129989D+02  0.211031D+01 -0.853891D-01 -0.906513D+00  0.470264D+00
      4  -0.584934D+01  0.405555D+02  0.341744D+00 -0.903723D+00  0.192798D+01
      5  -0.231153D+01  0.104478D+01  0.104536D+02  0.306548D+01  0.180247D+01
      6   0.107593D+01 -0.902887D+00 -0.272536D+01 -0.818745D-01  0.184559D+01
               216 
      1   0.131276D+01
      2  -0.105908D+01
      3  -0.253672D+00
      4   0.113121D+01
      5  -0.169977D+01
      6   0.276932D+00
 Leave Link  716 at Wed Mar 16 20:09:41 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.128272D+03  0.145677D+01 -0.692740D+00
      2   0.145677D+01  0.116073D+03 -0.178095D+01
      3  -0.692740D+00 -0.178095D+01  0.993077D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.209782D+01 -0.488397D+01  0.644596D+01
      2  -0.352965D+01 -0.654318D+00  0.569562D+01
      3  -0.853617D+01 -0.128797D+02  0.226595D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.334395D+02 -0.109616D+02 -0.174414D+02
      2  -0.264886D+02  0.111573D+02  0.138122D+02
      3  -0.695090D+01 -0.195701D+00  0.362926D+01
      4  -0.225519D+02 -0.683322D+01 -0.161840D+01
      5  -0.103584D+02 -0.370196D+01  0.907071D+01
      6   0.192655D+00  0.137989D+02 -0.116673D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.350126D+01  0.275495D+01 -0.947499D+00  0.203044D+01  0.280968D+01
      2   0.275495D+01  0.277399D+01  0.340436D+00  0.280968D+01 -0.462119D+01
      3  -0.947499D+00  0.340436D+00 -0.886240D+00  0.424136D+00 -0.152549D+01
                 6             7             8             9            10 
      1   0.424136D+00 -0.126346D+01  0.683019D+00 -0.468378D+00  0.431364D+01
      2  -0.152549D+01  0.683019D+00 -0.291577D+01 -0.122457D+01 -0.263162D+01
      3   0.895469D+00 -0.468378D+00 -0.122457D+01  0.117572D+02  0.158691D+01
                11            12            13            14            15 
      1  -0.263162D+01  0.158691D+01 -0.342045D+01 -0.269236D+01 -0.692670D+00
      2  -0.193586D+01 -0.366887D+00 -0.269236D+01  0.228471D+01  0.942475D+00
      3  -0.366887D+00 -0.134914D+01 -0.692670D+00  0.942475D+00  0.165100D+01
                16            17            18            19            20 
      1   0.260031D+01 -0.121458D+01  0.959370D+00  0.174518D+01 -0.305210D+01
      2  -0.121458D+01  0.142213D+01  0.577851D+00 -0.305210D+01 -0.236940D+01
      3   0.959370D+00  0.577851D+00 -0.119146D+02  0.113142D+01  0.339254D+00
                21            22            23            24            25 
      1   0.113142D+01 -0.450027D+01 -0.382676D+01  0.193426D+00  0.239530D+01
      2   0.339254D+00 -0.382676D+01  0.310582D+01  0.124857D+01  0.385074D+00
      3   0.111575D+01  0.193426D+00  0.124857D+01  0.179648D+01 -0.146083D+00
                26            27            28            29            30 
      1   0.385074D+00 -0.146083D+00  0.608906D+00  0.446183D+01 -0.130965D+01
      2   0.242658D+01  0.515011D+00  0.446183D+01  0.215592D+01  0.114560D-01
      3   0.515011D+00 -0.114233D+02 -0.130965D+01  0.114560D-01 -0.136078D+01
                31            32            33            34            35 
      1   0.454672D+01  0.357622D+01  0.145741D+00 -0.176242D+01  0.273072D+00
      2   0.357622D+01 -0.440327D+01 -0.120117D+01  0.273072D+00 -0.244431D+01
      3   0.145741D+00 -0.120117D+01 -0.107029D+01 -0.767558D+00  0.367696D-01
                36            37            38            39            40 
      1  -0.767558D+00  0.279011D+01 -0.390891D+01  0.673803D+00 -0.521483D+01
      2   0.367696D-01 -0.390891D+01 -0.412748D+00 -0.727027D+00 -0.129080D+01
      3   0.120657D+02  0.673803D+00 -0.727027D+00  0.196796D+00 -0.183924D+00
                41            42            43            44            45 
      1  -0.129080D+01 -0.183924D+00  0.393908D+01  0.302621D+00  0.285608D+00
      2  -0.399948D+01  0.120159D+01  0.302621D+00  0.179029D+01 -0.111518D+01
      3   0.120159D+01  0.102674D+01  0.285608D+00 -0.111518D+01 -0.186148D+01
                46            47            48            49            50 
      1  -0.553399D+01  0.103455D+01 -0.270872D+00  0.375780D+01  0.272463D+01
      2   0.103455D+01  0.198153D+01  0.126677D+01  0.272463D+01 -0.206990D+01
      3  -0.270872D+00  0.126677D+01 -0.103462D+01  0.266065D+00 -0.745164D+00
                51            52            53            54            55 
      1   0.266065D+00 -0.245945D+01  0.404148D+00  0.156215D+00  0.482109D+01
      2  -0.745164D+00  0.404148D+00 -0.224140D+01  0.513427D+00 -0.110201D+01
      3  -0.314616D+01  0.156215D+00  0.513427D+00  0.118356D+02  0.179997D+01
                56            57            58            59            60 
      1  -0.110201D+01  0.179997D+01 -0.678829D+00  0.121790D+00 -0.481691D+00
      2   0.225459D+01 -0.366235D+00  0.121790D+00  0.919496D+01  0.181080D+01
      3  -0.366235D+00  0.131574D+01 -0.481691D+00  0.181080D+01 -0.801732D+00
                61            62            63            64            65 
      1   0.272862D+01 -0.138367D+01  0.450356D-01  0.560278D+00 -0.437476D+00
      2  -0.138367D+01  0.432664D+01  0.201290D+01 -0.437476D+00 -0.447890D+00
      3   0.450356D-01  0.201290D+01  0.166611D+00 -0.103513D+01 -0.352615D-01
                66            67            68            69            70 
      1  -0.103513D+01 -0.208197D+00 -0.413095D+00 -0.104784D-02 -0.209438D+01
      2  -0.352615D-01 -0.413095D+00  0.103661D+01 -0.120969D+01  0.878501D-01
      3   0.314778D+00 -0.104784D-02 -0.120969D+01  0.679696D+00 -0.147601D-01
                71            72            73            74            75 
      1   0.878501D-01 -0.147601D-01 -0.407757D+01  0.427172D+01 -0.194738D+01
      2  -0.216258D+01  0.117425D+01  0.427172D+01  0.850868D+00 -0.359836D+00
      3   0.117425D+01 -0.973361D+01 -0.194738D+01 -0.359836D+00  0.168100D+01
                76            77            78            79            80 
      1   0.741965D+01 -0.735588D+00  0.511664D-01 -0.495815D+01  0.656121D-01
      2  -0.735588D+00  0.347339D+01 -0.128661D+01  0.656121D-01 -0.172382D+01
      3   0.511664D-01 -0.128661D+01  0.647043D+00 -0.178602D+01  0.593253D+00
                81            82            83            84            85 
      1  -0.178602D+01 -0.902061D+00  0.480658D+00  0.117842D+01  0.399489D+00
      2   0.593253D+00  0.480658D+00  0.309414D+00  0.820880D-01  0.286808D+00
      3  -0.255004D+00  0.117842D+01  0.820880D-01 -0.447115D+00  0.104692D+00
                86            87            88            89            90 
      1   0.286808D+00  0.104692D+00  0.227599D+01  0.180596D+00 -0.106614D+01
      2  -0.595039D+00  0.115635D+01  0.180596D+00  0.193897D+01 -0.310449D+00
      3   0.115635D+01 -0.625659D+00 -0.106614D+01 -0.310449D+00  0.976794D+01
                91            92            93            94            95 
      1  -0.245991D+00  0.311872D+00  0.117192D+01  0.500852D+00  0.579980D+00
      2   0.311872D+00  0.591568D+00  0.505031D-01  0.579980D+00 -0.453895D+00
      3   0.117192D+01  0.505031D-01  0.712855D-01  0.633127D-01  0.974005D+00
                96            97            98            99           100 
      1   0.633127D-01  0.215094D+01 -0.478933D-01  0.492448D+00  0.713731D+01
      2   0.974005D+00 -0.478933D-01  0.200406D+01  0.262875D+00  0.264575D+01
      3  -0.388633D+00  0.492448D+00  0.262875D+00  0.967234D+01 -0.105799D+01
               101           102           103           104           105 
      1   0.264575D+01 -0.105799D+01  0.114324D+01  0.357088D+01  0.113954D+00
      2   0.372597D+01  0.139893D+00  0.357088D+01 -0.376256D+01 -0.172997D+01
      3   0.139893D+00 -0.513961D+00  0.113954D+00 -0.172997D+01 -0.164059D+01
               106           107           108           109           110 
      1  -0.258922D+01 -0.721498D+00  0.139399D+01  0.483114D+00 -0.396126D+01
      2  -0.721498D+00 -0.355381D+01  0.606207D+00 -0.396126D+01  0.768764D+00
      3   0.139399D+01  0.606207D+00 -0.123460D+00  0.222494D+01 -0.633107D+00
               111           112           113           114           115 
      1   0.222494D+01 -0.418974D+01 -0.257285D+01  0.365995D-01  0.383272D+01
      2  -0.633107D+00 -0.257285D+01  0.887978D+01  0.187819D+01 -0.559890D-01
      3   0.181606D+01  0.365995D-01  0.187819D+01 -0.500892D+00 -0.240010D+00
               116           117           118           119           120 
      1  -0.559890D-01 -0.240010D+00  0.932482D+00 -0.723044D+00 -0.128939D+01
      2   0.220222D+01  0.158279D+01 -0.723044D+00 -0.130254D+00 -0.851889D-01
      3   0.158279D+01 -0.105954D+02 -0.128939D+01 -0.851889D-01  0.914147D+00
               121           122           123           124           125 
      1  -0.811478D+00 -0.151328D+00 -0.102524D+00 -0.286349D+01 -0.187009D+00
      2  -0.151328D+00  0.299357D+00 -0.109620D+01 -0.187009D+00 -0.158470D+01
      3  -0.102524D+00 -0.109620D+01 -0.199736D+00  0.126126D+01 -0.556089D+00
               126           127           128           129           130 
      1   0.126126D+01 -0.451446D+01 -0.281861D+01 -0.131882D+00 -0.321711D+01
      2  -0.556089D+00 -0.281861D+01 -0.277199D+01 -0.471300D+00 -0.345842D+01
      3  -0.100271D+02 -0.131882D+00 -0.471300D+00  0.149692D+01 -0.510638D+00
               131           132           133           134           135 
      1  -0.345842D+01 -0.510638D+00 -0.927508D+00 -0.102703D+01  0.802258D+00
      2  -0.687634D+01 -0.178121D+00 -0.102703D+01 -0.163690D+01  0.502079D+00
      3  -0.178121D+00  0.122229D+01  0.802258D+00  0.502079D+00 -0.725298D+01
               136           137           138           139           140 
      1   0.102525D+00 -0.472709D+00 -0.133754D+01 -0.619932D+00 -0.672055D+00
      2  -0.472709D+00 -0.455830D+00 -0.134168D+00 -0.672055D+00 -0.355598D+00
      3  -0.133754D+01 -0.134168D+00 -0.135164D+00  0.101547D+00 -0.109466D+01
               141           142           143           144           145 
      1   0.101547D+00 -0.263673D+01 -0.396399D+00 -0.119938D+01 -0.631290D+01
      2  -0.109466D+01 -0.396399D+00 -0.170965D+01 -0.152345D+01  0.358260D+01
      3  -0.221900D+00 -0.119938D+01 -0.152345D+01 -0.101194D+02 -0.764394D+00
               146           147           148           149           150 
      1   0.358260D+01 -0.764394D+00  0.286188D+01 -0.224754D+01  0.219231D+00
      2  -0.449047D+01  0.183172D+00 -0.224754D+01  0.314018D+01 -0.300373D+00
      3   0.183172D+00 -0.153507D+01  0.219231D+00 -0.300373D+00  0.103656D+01
               151           152           153           154           155 
      1  -0.174590D+01  0.926388D+00 -0.746119D+00 -0.847715D+01 -0.237913D+01
      2   0.926388D+00 -0.137524D+01  0.694938D+00 -0.237913D+01 -0.231036D+01
      3  -0.746119D+00  0.694938D+00 -0.219272D+00  0.377005D+00  0.259973D+00
               156           157           158           159           160 
      1   0.377005D+00 -0.500378D+01 -0.182079D+01  0.200060D+00  0.204189D+01
      2   0.259973D+00 -0.182079D+01 -0.221120D+01  0.413636D+00  0.604628D+00
      3  -0.154111D+01  0.200060D+00  0.413636D+00 -0.837307D+00 -0.905771D+00
               161           162           163           164           165 
      1   0.604628D+00 -0.905771D+00 -0.268563D+00  0.617883D+00  0.240222D+00
      2   0.724828D+00 -0.247961D+00  0.617883D+00 -0.678391D+00 -0.116077D+00
      3  -0.247961D+00  0.129773D+00  0.240222D+00 -0.116077D+00  0.150806D+00
               166           167           168           169           170 
      1   0.269610D+01  0.982004D+00 -0.108394D+00  0.835125D+00  0.325927D-01
      2   0.982004D+00  0.998776D+01  0.972769D+00  0.325927D-01  0.239002D+01
      3  -0.108394D+00  0.972769D+00  0.172380D+01  0.170769D+00  0.100062D+01
               171           172           173           174           175 
      1   0.170769D+00  0.107354D+02  0.127259D+01 -0.159222D+01  0.146824D+00
      2   0.100062D+01  0.127259D+01  0.114925D+01  0.279590D+00  0.380753D+01
      3   0.304701D+00 -0.159222D+01  0.279590D+00 -0.207152D+00  0.164824D+00
               176           177           178           179           180 
      1   0.380753D+01  0.164824D+00 -0.345125D+01 -0.254714D+00  0.210743D+01
      2  -0.589345D+01 -0.655763D+00 -0.254714D+00 -0.800063D+00  0.806313D-01
      3  -0.655763D+00 -0.134453D+01  0.210743D+01  0.806313D-01 -0.532529D+00
               181           182           183           184           185 
      1   0.785015D+00 -0.118991D+01 -0.647931D+00 -0.255616D+01  0.272475D+01
      2  -0.118991D+01  0.704151D+00  0.118589D+00  0.272475D+01 -0.112102D+02
      3  -0.647931D+00  0.118589D+00  0.266052D+00  0.149928D+00 -0.114579D+01
               186           187           188           189           190 
      1   0.149928D+00 -0.145944D+01  0.523232D+00  0.494656D+00 -0.203292D-01
      2  -0.114579D+01  0.523232D+00 -0.231763D+01 -0.144195D+01  0.327489D+00
      3  -0.112908D+01  0.494656D+00 -0.144195D+01  0.170907D+00  0.115610D+01
               191           192           193           194           195 
      1   0.327489D+00  0.115610D+01  0.969347D+00  0.255728D+00 -0.247907D-01
      2   0.322722D-01  0.701122D-01  0.255728D+00 -0.105608D+01  0.989609D+00
      3   0.701122D-01 -0.260638D+00 -0.247907D-01  0.989609D+00  0.511981D+00
               196           197           198           199           200 
      1   0.236782D+01 -0.217393D+00  0.981889D+00 -0.111423D+01 -0.497643D+00
      2  -0.217393D+00  0.166460D+01 -0.159735D+01 -0.497643D+00 -0.557792D+00
      3   0.981889D+00 -0.159735D+01  0.107729D+02  0.697048D+00  0.276412D+00
               201           202           203           204           205 
      1   0.697048D+00 -0.427252D+00 -0.278918D+00  0.173693D+00  0.269355D+01
      2   0.276412D+00 -0.278918D+00 -0.950370D+00  0.582737D+00  0.127934D+01
      3  -0.766326D+00  0.173693D+00  0.582737D+00 -0.719073D+00 -0.215783D+01
               206           207           208           209           210 
      1   0.127934D+01 -0.215783D+01 -0.465900D-01  0.141252D+01  0.941177D-01
      2   0.307991D+01 -0.234170D+01  0.141252D+01 -0.737306D+00 -0.123158D+00
      3  -0.234170D+01  0.757872D+01  0.941177D-01 -0.123158D+00  0.697970D+00
               211           212           213           214           215 
      1   0.437569D+01 -0.127950D+01 -0.302695D+00  0.350057D+00 -0.241992D+00
      2  -0.127950D+01  0.705597D+01 -0.173672D-02 -0.241992D+00  0.495616D+00
      3  -0.302695D+00 -0.173672D-02  0.143453D+01  0.347120D+00  0.205094D+00
               216 
      1   0.347120D+00
      2   0.205094D+00
      3  -0.164340D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.128429D+01  0.225695D-01 -0.520915D+00 -0.185708D+01  0.227986D+01
      2   0.113059D+01 -0.147828D+00  0.139279D+01  0.105653D+01  0.195822D+01
      3  -0.129144D+01  0.128322D+01 -0.958001D+00  0.627065D+01 -0.765122D+00
                 6             7             8             9            10 
      1   0.156471D+01  0.775327D+00  0.448316D+01 -0.108123D+02 -0.762430D+00
      2   0.366288D+00 -0.280556D+01  0.145135D+00 -0.663044D+01 -0.318449D+01
      3  -0.102813D+00 -0.791021D+00 -0.227347D+01 -0.138509D+01 -0.368398D+01
                11            12            13            14            15 
      1  -0.236861D+01 -0.111249D+01 -0.345868D+00 -0.150580D+01 -0.171475D+01
      2  -0.391267D+00 -0.229546D+00  0.444723D+00 -0.140762D+01 -0.219045D+01
      3  -0.512207D+01 -0.725611D-01  0.472455D+00  0.244358D+01  0.263953D+01
                16            17            18            19            20 
      1  -0.109940D+01  0.245410D+01 -0.927346D+00 -0.214922D+01 -0.125407D+00
      2  -0.441701D+01 -0.111395D+01  0.159189D+02 -0.261486D+00  0.152070D+01
      3  -0.141713D+01  0.247122D+01  0.103014D+01  0.237407D+01 -0.392342D+01
                21            22            23            24            25 
      1   0.961746D+00 -0.138489D+01 -0.187935D+01 -0.724290D+00  0.820613D+00
      2  -0.457537D+00  0.447310D+00  0.129458D+01 -0.366210D+00 -0.457129D+01
      3   0.110424D-01  0.205525D+01 -0.442203D+01 -0.178969D+01  0.243237D+01
                26            27            28            29            30 
      1   0.222733D+01  0.666085D+01 -0.218675D+01  0.896477D+00  0.132672D+01
      2   0.380154D+00 -0.620000D+01 -0.215805D+01  0.133542D+01 -0.348384D+01
      3  -0.104011D+01 -0.547907D+00 -0.786403D+01 -0.929872D+01  0.428890D+00
                31            32            33            34            35 
      1  -0.468173D+00  0.246017D+00 -0.119519D+00 -0.237906D-01  0.328539D+01
      2  -0.628960D+00 -0.130857D+01 -0.361786D+01 -0.541898D+01  0.650657D+00
      3  -0.565137D+01  0.701327D+01  0.209479D+01  0.897770D+00  0.110280D+01
                36            37            38            39            40 
      1   0.532276D+01  0.241507D+01 -0.341622D+00 -0.131445D+01  0.406477D+00
      2   0.175904D+02  0.115995D+01  0.352055D+00  0.134570D+02 -0.159051D+00
      3   0.787865D+00 -0.402614D+01 -0.201190D+01 -0.181054D+01  0.205401D+02
                41            42            43            44            45 
      1   0.838000D+00 -0.550097D+01  0.196969D+01  0.284669D+01  0.977478D-01
      2  -0.234198D+00  0.810071D+00 -0.808153D+01 -0.138080D+01  0.137557D+01
      3   0.230925D+01  0.197975D+00 -0.575225D+01 -0.518720D+00 -0.464776D+00
                46            47            48            49            50 
      1  -0.315035D+00  0.412158D+00 -0.120800D+01 -0.643817D+00 -0.775516D-01
      2   0.828671D+00  0.144920D+00 -0.597449D+01 -0.558090D+00  0.204844D+01
      3   0.922952D+01  0.554015D+01  0.863286D+00 -0.362871D+00 -0.190123D+01
                51            52            53            54            55 
      1  -0.124888D+01 -0.222496D+01  0.306525D+01  0.110183D+02 -0.529593D+01
      2   0.426888D+01 -0.421344D+01 -0.177342D+01 -0.181368D+02 -0.403100D+01
      3  -0.244904D+01  0.278732D+01 -0.265625D+01  0.337111D+00  0.159241D+02
                56            57            58            59            60 
      1   0.228662D+01 -0.227972D+01  0.284858D+01 -0.467057D+01 -0.685905D+01
      2   0.338878D+01  0.117865D+01  0.109686D+01 -0.270524D+01 -0.133058D+00
      3  -0.611226D+01  0.325970D+01  0.430561D+01  0.998102D+01 -0.124637D-01
                61            62            63            64            65 
      1  -0.143696D+01  0.159168D+01 -0.361521D+01  0.119141D+01 -0.678764D-02
      2  -0.530014D+01 -0.106051D+00 -0.131180D+01  0.927927D+00 -0.452997D+00
      3   0.747646D+01  0.174910D+01  0.204605D+01  0.350663D+00 -0.186041D+01
                66            67            68            69            70 
      1  -0.439115D+00  0.117280D+00  0.131332D+01 -0.101803D+01 -0.300155D+00
      2   0.115725D+01 -0.313405D+00  0.461358D+00 -0.167436D+00 -0.452684D+01
      3  -0.116876D+01  0.676035D+00  0.223234D+00 -0.788657D+00 -0.283744D+01
                71            72            73            74            75 
      1   0.392005D+01  0.110915D+02 -0.959584D+00  0.477790D+00  0.182385D+01
      2  -0.591083D+00  0.630457D+01  0.843646D+01  0.227022D+01  0.420367D+01
      3  -0.121464D+01  0.107419D+01  0.135999D+02 -0.152487D+01 -0.136828D+01
                76            77            78            79            80 
      1  -0.189709D+01  0.172683D-01 -0.321964D+01  0.166432D+01  0.382975D+01
      2   0.240343D+01  0.348330D+01 -0.447963D+01 -0.211671D+01 -0.207720D+01
      3   0.790790D+01  0.156464D+02 -0.290227D+01 -0.185293D+01 -0.738474D+01
                81            82            83            84            85 
      1   0.713899D+00  0.182220D+00  0.285910D+00  0.137084D-01  0.641311D+00
      2   0.371673D+01 -0.186828D+01 -0.203304D+00  0.119457D+01  0.376528D-01
      3   0.127683D+01  0.895998D+00 -0.546586D+00  0.135479D+00  0.168404D+01
                86            87            88            89            90 
      1  -0.470517D+00 -0.186407D+01  0.349428D+00  0.470580D+01 -0.106532D+01
      2  -0.194620D+01  0.111562D+01 -0.344617D+01  0.366726D+00 -0.153115D+02
      3  -0.589864D+00  0.146655D+01  0.306121D+00  0.353425D+01  0.161569D-01
                91            92            93            94            95 
      1  -0.799179D+00  0.272975D+00  0.401170D+00  0.256104D+00 -0.116210D+01
      2   0.141560D+01  0.803955D-01  0.551699D+00  0.435712D+00  0.155883D+00
      3  -0.323628D+00 -0.120716D+01  0.868852D+00  0.128900D+01  0.239416D+00
                96            97            98            99           100 
      1  -0.832455D+00 -0.576085D+00  0.469723D+01 -0.746031D+01  0.234586D+01
      2  -0.594179D+00 -0.493652D+01  0.417451D+00  0.603288D+01 -0.199937D+01
      3  -0.408665D+00  0.134294D+01 -0.144132D+01 -0.853380D-01  0.910751D+01
               101           102           103           104           105 
      1   0.787578D-01 -0.216899D+01  0.144432D+01  0.618835D+01 -0.240945D+01
      2  -0.795150D+00  0.635650D+01  0.414294D+00 -0.302776D+01  0.601280D+00
      3  -0.112682D+02 -0.149471D+01 -0.289654D+00  0.147376D+02  0.347655D+01
               106           107           108           109           110 
      1  -0.180838D+01  0.462028D+01  0.247690D+01  0.205605D+01 -0.496267D+00
      2  -0.190923D+01  0.758778D+00 -0.201187D+01  0.362345D+01 -0.773678D+00
      3  -0.517100D+01  0.649807D+01  0.101533D+01  0.536808D+01  0.455190D+01
               111           112           113           114           115 
      1   0.289204D+01 -0.212597D+01  0.912511D+01 -0.559105D+00 -0.148808D+01
      2   0.854191D+00  0.201860D+00  0.455761D+01 -0.315835D+01 -0.462985D+01
      3  -0.125026D+01  0.141779D+02 -0.163438D+02 -0.431182D+01 -0.354093D+01
               116           117           118           119           120 
      1   0.386518D+01 -0.159280D+02 -0.432412D+00  0.715863D-01  0.744234D+00
      2   0.382014D+01 -0.218841D+02 -0.130629D+01 -0.536574D+00  0.239566D+01
      3  -0.530355D+01 -0.369419D+01  0.547170D+00 -0.178051D+00  0.117369D+01
               121           122           123           124           125 
      1  -0.980381D-01 -0.112691D+01 -0.936275D+00  0.413487D+00  0.420628D+01
      2   0.481360D-02 -0.137806D+01 -0.534544D-01 -0.429506D+01 -0.626884D+00
      3   0.237865D+01 -0.106928D+01  0.155947D+01  0.242349D+01  0.275604D+01
               126           127           128           129           130 
      1  -0.490560D+01 -0.571924D+00 -0.127555D+01  0.108558D+01  0.235396D+00
      2  -0.127807D+02 -0.332921D+00 -0.616271D+00  0.439107D+01  0.111042D+01
      3  -0.490553D+00  0.531440D+01 -0.722442D+01  0.627877D+00  0.728158D+01
               131           132           133           134           135 
      1   0.630772D+00 -0.527662D+01  0.457444D+01  0.426578D+01 -0.170422D+02
      2   0.916462D-02  0.450419D+00 -0.377809D+01 -0.235481D+01  0.150424D+02
      3  -0.778966D+01  0.290249D+00  0.146281D+00  0.621442D-01 -0.951788D+00
               136           137           138           139           140 
      1  -0.149610D+01 -0.331977D-01 -0.261708D+00  0.888565D+00 -0.136163D+01
      2   0.215425D+01 -0.843708D-01  0.100826D+01  0.157617D+00  0.116881D+01
      3  -0.860959D+00 -0.139779D+01  0.187191D+01  0.897488D+00  0.112887D+01
               141           142           143           144           145 
      1  -0.878127D+00 -0.695591D+00  0.351938D+01 -0.108761D+02  0.417453D+01
      2  -0.242287D+00 -0.387014D+01  0.162776D+01  0.143776D+02  0.369860D+01
      3  -0.166788D+01  0.369338D+01 -0.208410D+01  0.653761D+00 -0.163505D+02
               146           147           148           149           150 
      1  -0.214882D+01  0.460946D+01 -0.151068D+01  0.176590D+01 -0.250182D+01
      2  -0.234477D+01  0.332529D+01 -0.169495D+01  0.138908D+01 -0.187484D+01
      3   0.269110D+01 -0.244724D+01  0.565593D+01 -0.292956D+01  0.323357D+00
               151           152           153           154           155 
      1   0.249915D+01 -0.133774D+01  0.991917D+00  0.130580D+01  0.642515D+00
      2   0.107248D+01 -0.142163D+01  0.800080D+00 -0.479142D+01 -0.211807D+01
      3  -0.492174D+01  0.664661D+00 -0.134834D+01 -0.120022D+02 -0.102491D+02
               156           157           158           159           160 
      1  -0.347924D+00  0.106375D+01  0.255401D+00 -0.452718D+00 -0.321489D+00
      2   0.548209D+01 -0.317548D+01 -0.229153D+01  0.351188D+01  0.275339D+01
      3   0.115871D+01 -0.770666D+01 -0.113031D+02  0.169384D+01  0.292582D+01
               161           162           163           164           165 
      1   0.674844D+00  0.309910D+00 -0.434059D+00  0.597319D+00  0.201236D+00
      2   0.128038D+01 -0.889224D+00  0.676328D+00 -0.364669D+00 -0.101818D+00
      3   0.361117D+01 -0.117589D+01 -0.386085D+01  0.339782D+01  0.105652D+01
               166           167           168           169           170 
      1   0.133491D+00 -0.458578D+01 -0.481815D+01 -0.283715D+00 -0.203618D+01
      2  -0.385470D+00  0.176115D+01  0.243807D+01 -0.742641D+00  0.161943D+01
      3   0.649018D+01 -0.204016D+02 -0.266779D+01  0.258610D+01 -0.544721D+01
               171           172           173           174           175 
      1  -0.109619D+01 -0.115480D+01 -0.968589D+00 -0.216248D+01  0.101178D+01
      2   0.513851D+00 -0.427130D+01 -0.904461D+00  0.882998D+01  0.265659D+00
      3  -0.157590D+01 -0.112271D+02 -0.160556D+02  0.161737D+01 -0.121811D+02
               176           177           178           179           180 
      1   0.176314D+01 -0.439593D+01  0.245489D+01  0.460941D+01  0.475994D+00
      2  -0.167806D+01 -0.209396D+01  0.172687D+01  0.192353D+00 -0.368210D+01
      3   0.242616D+02  0.124007D+01  0.225719D+01  0.471855D+01 -0.233218D+01
               181           182           183           184           185 
      1  -0.171726D+01  0.589042D+00  0.841714D+00  0.113811D+01 -0.601675D+01
      2  -0.159224D+01  0.635770D+00  0.174189D+01  0.481528D+00 -0.285044D+01
      3   0.187465D+01 -0.129113D+01  0.744621D+00  0.792691D+00  0.232539D+02
               186           187           188           189           190 
      1  -0.543848D+01  0.110748D+01 -0.204692D+01 -0.578065D+00  0.213356D+01
      2  -0.308484D+01  0.533524D+00 -0.341688D+01  0.240724D+00  0.351860D+01
      3   0.262056D+01  0.214468D+01  0.454708D+01  0.267813D+01  0.507406D-01
               191           192           193           194           195 
      1   0.235791D-01 -0.240734D+00 -0.677535D-01  0.847767D+00  0.456687D+00
      2  -0.103178D+00  0.187163D+00 -0.827031D+00  0.255313D+01  0.119853D+01
      3  -0.151687D+01 -0.165718D+01 -0.114652D+01  0.190803D+01 -0.208308D+01
               196           197           198           199           200 
      1   0.790466D+00  0.270181D+01  0.151054D+02  0.145953D+01  0.750168D+00
      2  -0.329993D+01 -0.336787D+01  0.247758D+02 -0.211893D+01 -0.897694D+00
      3  -0.291436D+01 -0.378159D+01  0.328545D+01  0.103720D+01 -0.250508D+00
               201           202           203           204           205 
      1  -0.186318D+01  0.414122D+00  0.202979D+01 -0.130250D+01 -0.570106D+01
      2   0.162387D+01 -0.707018D+00 -0.145974D+01  0.159536D+01  0.230868D+01
      3  -0.105398D+01  0.357716D+00 -0.938701D+00  0.878816D+00 -0.344291D+01
               206           207           208           209           210 
      1  -0.301752D+01  0.191191D+02 -0.273629D+00  0.357387D+00 -0.981750D+00
      2   0.513526D+01 -0.168750D+02  0.491012D-04  0.116596D+00  0.569306D+00
      3   0.339960D+01  0.314748D+00 -0.491407D+01  0.553418D+01  0.353347D+00
               211           212           213           214           215 
      1   0.145343D+00 -0.355431D+01  0.395721D+00 -0.728756D+00  0.909643D+00
      2  -0.108963D+00 -0.553314D+00  0.570017D+01 -0.176102D+00  0.110699D+01
      3   0.824529D+01 -0.339628D+02  0.356348D+00  0.122182D+01 -0.196897D+01
               216 
      1   0.326203D-01
      2  -0.629885D+00
      3  -0.463826D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.311407D+01 -0.866933D+01 -0.528705D+00 -0.625027D+01  0.144292D+02
      2   0.186397D+01  0.121602D+02 -0.743052D+00  0.749436D+01 -0.278404D+02
      3  -0.497804D+01 -0.349083D+01  0.127176D+01 -0.124409D+01  0.134111D+02
      4  -0.429059D+01 -0.287037D+01 -0.854190D+00 -0.101275D+02  0.104303D+02
      5   0.217179D+01 -0.137846D+01 -0.824419D+00 -0.405795D+01  0.194833D+01
      6   0.921492D+00  0.251172D+01  0.979909D+00  0.336135D+01 -0.826505D+01
                 6             7             8             9            10 
      1   0.288847D+01  0.167645D+01  0.431527D+01  0.130106D+02 -0.247562D+02
      2  -0.112818D+01 -0.363438D+00 -0.126771D+02  0.534652D+01  0.120058D+02
      3  -0.176029D+01 -0.131301D+01  0.836183D+01 -0.183571D+02  0.127504D+02
      4   0.281567D+01 -0.229223D+01  0.394288D+01  0.993196D+00  0.130396D+02
      5   0.118338D+01  0.138654D+01  0.201938D+01 -0.146798D+02 -0.959097D+01
      6  -0.108876D+02  0.262227D+00 -0.460346D+01  0.289192D+02  0.332608D+00
                11            12            13            14            15 
      1   0.634778D+01 -0.225024D+01  0.125144D+02  0.795619D+01  0.178576D+01
      2  -0.389430D+00  0.474078D+01 -0.718703D+01 -0.193050D+01 -0.202169D+01
      3  -0.595835D+01 -0.249054D+01 -0.532734D+01 -0.602569D+01  0.235922D+00
      4  -0.498155D+01  0.132532D+01  0.639716D+01 -0.570209D+01 -0.220794D+01
      5   0.107998D+01 -0.655908D+01  0.366782D+01 -0.403440D+00 -0.385023D+01
      6  -0.262184D+01  0.267811D+01 -0.143543D+01  0.478254D+00 -0.689973D-01
                16            17            18            19            20 
      1  -0.129498D+02  0.316731D+01  0.636794D+01 -0.101789D+02  0.103620D+01
      2   0.399917D+01 -0.252749D+01  0.112433D+02  0.230656D+01 -0.819136D+01
      3   0.895061D+01 -0.639823D+00 -0.176113D+02  0.787234D+01  0.715516D+01
      4   0.748445D+01 -0.366107D+01 -0.262141D+01 -0.847235D+01 -0.114399D+02
      5  -0.426549D+01 -0.258327D+01  0.405715D+02  0.325905D+01  0.226211D+01
      6   0.439782D+00  0.391389D+00  0.130617D+01 -0.110879D+00  0.228612D+01
                21            22            23            24            25 
      1  -0.147299D+01 -0.867587D+01 -0.444395D+01 -0.259820D+01  0.399448D+01
      2  -0.183020D+01  0.130431D+01  0.324373D+01  0.371075D+00  0.129160D+01
      3   0.330319D+01  0.737157D+01  0.120022D+01  0.222712D+01 -0.528608D+01
      4   0.114362D+01 -0.130698D+02 -0.313022D+01  0.323160D+00  0.478535D+01
      5  -0.660806D+01  0.284096D+01  0.862884D+00 -0.145585D+01 -0.104201D+00
      6  -0.286814D+01  0.220485D+00  0.422296D+01 -0.259513D+01 -0.110272D+01
                26            27            28            29            30 
      1   0.737570D+00  0.933760D+01 -0.114667D+02  0.133652D+02 -0.590554D+01
      2   0.146044D+01  0.120228D+02  0.422560D+01 -0.107999D+02  0.167985D+00
      3  -0.219801D+01 -0.213604D+02  0.724105D+01 -0.256530D+01  0.573756D+01
      4   0.512939D+01 -0.229413D+00 -0.189475D+01 -0.100323D+02  0.347218D+01
      5  -0.153632D+00 -0.155993D+02 -0.532335D+01  0.215176D+01 -0.126388D+02
      6   0.241311D+01 -0.169733D+02  0.481918D+01 -0.115101D+01  0.131686D+00
                31            32            33            34            35 
      1   0.920503D+01  0.673952D+01 -0.433053D+01 -0.326033D+01 -0.907266D+00
      2  -0.609087D+01 -0.626312D+01 -0.346601D-02 -0.305069D+01  0.287254D+01
      3  -0.311416D+01 -0.476395D+00  0.433400D+01  0.631103D+01 -0.196528D+01
      4  -0.880477D+01 -0.177210D+02 -0.210835D+01  0.172683D+01 -0.314162D+01
      5   0.114946D+00 -0.122036D+01 -0.673960D+01 -0.458391D+01 -0.217038D+00
      6  -0.858506D+00  0.188818D+01 -0.419320D+01  0.873584D+00 -0.894668D+00
                36            37            38            39            40 
      1   0.958177D+01  0.488349D+01 -0.258519D+01 -0.797988D+00  0.231520D+00
      2   0.105020D+02 -0.156514D+01  0.236808D+01 -0.127305D+00  0.959451D+00
      3  -0.200837D+02 -0.331834D+01  0.217109D+00  0.925293D+00 -0.119097D+01
      4   0.424152D+00 -0.260628D+01  0.214365D+02 -0.164331D+01  0.180370D+02
      5   0.340226D+02  0.203533D+01  0.898398D-01  0.257366D+02 -0.168561D+01
      6  -0.133689D+02 -0.201109D+01  0.230992D+01  0.297439D+01 -0.283944D+00
                41            42            43            44            45 
      1  -0.189419D+02  0.556749D+01  0.129727D+01  0.432295D+01 -0.106108D+02
      2   0.257094D+02 -0.124348D+01 -0.238371D+01 -0.461091D+01 -0.276171D+01
      3  -0.676753D+01 -0.432401D+01  0.108644D+01  0.287963D+00  0.133725D+02
      4   0.386808D+01 -0.269794D+00 -0.841701D+01 -0.192388D+00 -0.143395D+01
      5  -0.101822D+01  0.248320D+01  0.688484D+01  0.964601D-01  0.261593D+01
      6  -0.434784D+01  0.754251D+01 -0.870330D+00  0.937741D+01  0.854142D+00
                46            47            48            49            50 
      1  -0.140763D+02  0.208267D+01  0.498493D+01 -0.998196D+01 -0.244340D+01
      2   0.808283D+01 -0.835683D+01 -0.148131D+01 -0.747559D+00 -0.743311D+01
      3   0.599349D+01  0.627416D+01 -0.350362D+01  0.107295D+02  0.987651D+01
      4   0.292087D+01 -0.269747D+02 -0.171874D+01 -0.229958D+02 -0.505492D+01
      5   0.378713D+00 -0.116555D+01 -0.156739D+02  0.124058D+01  0.751242D+00
      6  -0.506490D+00 -0.287427D+01 -0.162833D+01  0.200899D+00  0.180023D+01
                51            52            53            54            55 
      1  -0.256584D+01  0.591194D+01 -0.216793D+01  0.153285D+02 -0.280147D+01
      2  -0.303354D+00  0.170088D+01  0.966339D+01  0.112272D+02 -0.540123D+01
      3   0.286919D+01 -0.761282D+01 -0.749546D+01 -0.265557D+02  0.820271D+01
      4   0.167866D+01  0.341191D+01  0.317705D+01  0.741311D+00  0.232123D+02
      5   0.677143D+01 -0.358773D+01 -0.145678D+01 -0.356300D+02 -0.346198D+01
      6  -0.288809D+01  0.187173D+00 -0.289857D+01 -0.290983D+02  0.850562D+01
                56            57            58            59            60 
      1   0.451837D+00 -0.290440D+01  0.351901D+01 -0.378408D+02 -0.737383D+01
      2   0.590855D+01  0.521392D+00 -0.703930D+00  0.566183D+02  0.583327D+01
      3  -0.636039D+01  0.238301D+01 -0.281508D+01 -0.187776D+02  0.154056D+01
      4  -0.505311D+01  0.750529D+01  0.301973D+01 -0.148627D+02 -0.528757D+01
      5   0.154647D+01  0.516043D+01  0.235218D+01 -0.361282D+01 -0.143962D+01
      6  -0.327932D+01  0.288186D+01 -0.381454D+01  0.138010D+02  0.147270D+02
                61            62            63            64            65 
      1  -0.211524D+01 -0.113974D+02 -0.118375D+02 -0.308506D-01  0.770357D+00
      2  -0.260272D+01  0.193861D+02  0.322358D+01 -0.362197D+01 -0.104445D+01
      3   0.471796D+01 -0.798865D+01  0.861389D+01  0.365282D+01  0.274094D+00
      4   0.136718D+02 -0.124916D+02 -0.212792D+01  0.988858D+00  0.264472D+01
      5   0.507114D+01 -0.425439D+01 -0.307200D+01  0.124526D+01 -0.939906D+00
      6  -0.170575D+00  0.172513D+02  0.783158D+01 -0.349062D+01 -0.692329D+00
                66            67            68            69            70 
      1   0.201890D+01  0.581056D+00 -0.516584D+01  0.337927D+01  0.244252D+01
      2  -0.712192D+00 -0.899312D+00  0.398481D+01 -0.356886D+01 -0.664299D+00
      3  -0.130671D+01  0.318256D+00  0.118103D+01  0.189589D+00 -0.177822D+01
      4  -0.287274D+01  0.247522D+01 -0.175588D+01  0.137457D+01 -0.415629D+01
      5   0.739416D+01  0.401904D-01  0.127567D+01 -0.440231D+00  0.472656D+01
      6   0.118284D+01 -0.225889D+00 -0.384065D+01  0.823792D+01 -0.305942D+00
                71            72            73            74            75 
      1   0.594308D+01 -0.195051D+02  0.231216D+02 -0.254313D+02  0.933530D+01
      2  -0.518875D+01 -0.144513D+02 -0.128883D+02  0.121708D+02 -0.881496D+01
      3  -0.754334D+00  0.339565D+02 -0.102333D+02  0.132605D+02 -0.520338D+00
      4   0.330930D+01 -0.858847D+00 -0.307382D+02  0.954004D+01  0.323630D+00
      5  -0.151843D+01  0.126750D+02  0.154843D+02  0.104453D+01  0.972303D+01
      6   0.798293D+01 -0.278404D+02 -0.309019D+01  0.104450D+01 -0.292666D+01
                76            77            78            79            80 
      1  -0.450696D+02 -0.647246D+01  0.184757D+01  0.271812D+02  0.216370D+01
      2   0.251125D+02  0.941961D+01 -0.187585D+00 -0.169343D+02 -0.148719D+01
      3   0.199571D+02 -0.294715D+01 -0.165998D+01 -0.102470D+02 -0.676511D+00
      4   0.937256D+01 -0.199282D+02  0.678772D+01 -0.303448D+01  0.992645D+01
      5  -0.854337D+00  0.720706D+01 -0.694982D+01  0.172054D+02 -0.476992D+01
      6   0.706775D+00 -0.188566D+01  0.764724D+01 -0.262739D+01  0.594992D+01
                81            82            83            84            85 
      1   0.218236D+01  0.372363D+01 -0.150134D+01 -0.450394D+01 -0.109996D+01
      2  -0.959551D+01 -0.510549D+01  0.652309D+00  0.301418D+01  0.431932D+00
      3   0.741315D+01  0.138186D+01  0.849032D+00  0.148976D+01  0.668031D+00
      4  -0.500570D+01 -0.143218D+01  0.147099D+01  0.193634D+00  0.168104D+01
      5   0.799241D+01 -0.465136D+01 -0.454694D+00  0.812908D+01 -0.708599D+00
      6  -0.156728D+01  0.275332D+00 -0.203841D-01  0.367027D+00 -0.120420D+01
                86            87            88            89            90 
      1  -0.408029D+01  0.285333D+00 -0.773593D+01  0.420221D-01 -0.154854D+02
      2   0.303299D+00  0.937100D+00  0.660310D+01  0.516256D+00 -0.184073D+02
      3   0.377700D+01 -0.122243D+01  0.113283D+01 -0.558278D+00  0.338927D+02
      4   0.207973D+01 -0.480872D+01  0.315010D-01 -0.610323D+01  0.131169D+01
      5  -0.487655D+01  0.236012D+01  0.894420D+01  0.169507D+01 -0.360224D+02
      6  -0.262534D+00  0.881548D+01 -0.111755D+00  0.527917D+01  0.158334D+01
                91            92            93            94            95 
      1   0.597735D+00 -0.405015D+00  0.213335D+01 -0.392397D+00 -0.244292D+01
      2  -0.323089D+01  0.926524D+00 -0.955424D+00  0.765332D+00 -0.852904D+00
      3   0.263315D+01 -0.521509D+00 -0.117793D+01 -0.372935D+00  0.329582D+01
      4   0.116142D+00  0.295226D+01  0.155726D+01  0.352094D+01  0.348322D+00
      5   0.205272D+01 -0.829584D-01  0.678689D+01 -0.419764D+00  0.142341D+01
      6   0.181794D+01 -0.207534D+00 -0.555331D+00  0.255324D+00  0.143184D+01
                96            97            98            99           100 
      1  -0.801206D+00  0.263633D+01 -0.218665D+01 -0.196373D+02  0.295040D+02
      2   0.250804D+01 -0.238244D+01  0.332369D+01 -0.180033D+02 -0.122429D+02
      3  -0.170683D+01 -0.253894D+00 -0.113704D+01  0.376405D+02 -0.172611D+02
      4   0.170603D+01  0.305428D+01  0.323205D+01  0.863371D+00  0.242249D+02
      5  -0.850564D+00  0.589998D+01  0.534992D+00  0.145756D+02 -0.444868D+01
      6   0.719462D+01  0.818372D+00  0.534189D+01  0.159994D+02 -0.337422D+01
               101           102           103           104           105 
      1  -0.349263D+01 -0.194978D+01  0.508654D+00  0.166317D+02  0.649147D+01
      2   0.118450D+02  0.377149D+01  0.457306D+01 -0.178701D+02 -0.680233D+01
      3  -0.835232D+01 -0.182171D+01 -0.508171D+01  0.123844D+01  0.310863D+00
      4   0.257997D+02 -0.254738D+01  0.212343D+02 -0.336156D+01 -0.469345D+01
      5  -0.784342D+00  0.125189D+02 -0.112608D+01 -0.682072D+01  0.880938D+00
      6  -0.364129D+00  0.395768D+01 -0.579995D+00 -0.964642D+01  0.689900D+01
               106           107           108           109           110 
      1  -0.726830D+01  0.813892D+01 -0.163930D+01 -0.170423D+02 -0.132121D+02
      2   0.282660D+01 -0.132118D+02 -0.556512D+01  0.133843D+02  0.591658D+01
      3   0.444170D+01  0.507286D+01  0.720442D+01  0.365795D+01  0.729549D+01
      4  -0.807822D+01 -0.119041D+02  0.475044D+01 -0.150900D+02  0.149061D+01
      5   0.106149D+02  0.275791D+01 -0.348028D+01  0.139179D+02 -0.332974D+01
      6   0.587809D+01  0.678266D+01 -0.475464D+01 -0.826461D+01  0.517591D+01
               111           112           113           114           115 
      1   0.289414D+01 -0.351308D+02  0.132004D+02  0.217642D+01  0.235437D+02
      2  -0.570860D+01  0.266994D+02 -0.353721D+02 -0.961111D+01 -0.101049D+02
      3   0.281446D+01  0.843132D+01  0.221717D+02  0.743470D+01 -0.134387D+02
      4  -0.683570D+01 -0.902906D+01  0.407978D+02  0.779307D+01 -0.223321D+01
      5  -0.318413D+01  0.212962D+01  0.806455D+01 -0.633937D+01 -0.212513D+01
      6  -0.583907D+01  0.813054D+00 -0.525103D+01 -0.107969D+01  0.777682D+00
               116           117           118           119           120 
      1   0.164542D+01  0.203631D+02  0.292701D+01 -0.205980D+01 -0.259810D+01
      2  -0.724389D+01  0.725893D+01 -0.445086D+01  0.126068D+01  0.178166D+01
      3   0.559847D+01 -0.276220D+02  0.152385D+01  0.799119D+00  0.816446D+00
      4   0.109498D+02  0.765436D+01 -0.260859D+01  0.309459D+01  0.101171D+01
      5   0.742042D+01 -0.465681D+02 -0.315811D+01 -0.486499D+00  0.100646D+02
      6  -0.450848D+01  0.229593D+02  0.133800D+01  0.316074D+00 -0.995050D+00
               121           122           123           124           125 
      1  -0.172497D+01 -0.449696D+01 -0.904438D+00 -0.545787D+01 -0.103753D+01
      2   0.561382D+00  0.138119D+01  0.137702D+01  0.721730D+01  0.809736D+00
      3   0.116359D+01  0.311578D+01 -0.472582D+00 -0.175944D+01  0.227790D+00
      4   0.342155D+01  0.494619D+00 -0.209197D+01  0.374266D+01 -0.303482D+01
      5   0.628985D-01 -0.304830D+01  0.673183D+00  0.868923D+01 -0.124118D+01
      6  -0.455798D+00  0.169467D+01  0.851444D+01 -0.150206D+01  0.601527D+01
               126           127           128           129           130 
      1  -0.198439D+02  0.219290D+02  0.368589D+01  0.297419D+00  0.696346D+01
      2  -0.172070D+02 -0.243728D+01  0.923679D+01  0.115199D+01  0.733559D+01
      3   0.370508D+02 -0.194917D+02 -0.129227D+02 -0.144941D+01 -0.142991D+02
      4  -0.168261D+01  0.260270D+02  0.322065D+02  0.146862D+01  0.324824D+02
      5  -0.256849D+02 -0.475502D+00  0.620230D+00  0.607090D+01  0.739135D+00
      6   0.126922D+02  0.652035D+00  0.841156D+00 -0.665256D+00  0.130254D+01
               131           132           133           134           135 
      1  -0.101317D+02  0.161636D+01 -0.511649D+00 -0.132893D+01 -0.974162D+00
      2   0.348319D+02  0.180469D+00  0.191424D+00  0.140020D+01  0.234638D+01
      3  -0.247001D+02 -0.179683D+01  0.320225D+00 -0.712672D-01 -0.137222D+01
      4   0.367302D+02  0.146947D+01  0.531028D+01  0.613500D+01 -0.390728D+01
      5   0.810006D+00  0.131134D+01  0.141468D+01 -0.159456D+01  0.274376D+02
      6  -0.109356D+01  0.836844D+01 -0.258890D+01  0.326770D+01  0.282699D+02
               136           137           138           139           140 
      1   0.473669D-01  0.874829D+00  0.382490D+01 -0.231636D+00 -0.352010D+01
      2  -0.280157D+01 -0.164902D+00 -0.137987D+01  0.123510D+01  0.163553D+01
      3   0.275421D+01 -0.709928D+00 -0.244503D+01 -0.100347D+01  0.188457D+01
      4   0.153946D+01  0.464339D+01  0.328774D+01  0.506142D+01  0.160992D+01
      5   0.378698D+01  0.696002D+00  0.840667D+01 -0.307916D+00  0.285271D+01
      6   0.363214D+01 -0.174323D+00  0.352173D+00  0.314396D-01  0.383624D+01
               141           142           143           144           145 
      1  -0.247827D+01  0.322648D+01 -0.451499D+01 -0.207062D+02  0.105569D+02
      2   0.355615D+01 -0.393670D+01  0.240423D+01 -0.157267D+02  0.745775D+01
      3  -0.107787D+01  0.710226D+00  0.211076D+01  0.364329D+02 -0.180146D+02
      4   0.216648D+01  0.651109D+01  0.621163D+01  0.388711D+01 -0.349645D+02
      5  -0.880619D+00  0.910472D+01  0.414193D+01  0.276997D+02  0.671674D+00
      6   0.808880D+01  0.333303D+01  0.947702D+01  0.275682D+02 -0.438433D+01
               146           147           148           149           150 
      1   0.212846D+01  0.239367D+01 -0.108733D+01 -0.256458D+01  0.152097D+00
      2  -0.170328D+02  0.813508D+00 -0.806374D+01  0.135618D+02 -0.209507D+01
      3   0.149043D+02 -0.320718D+01  0.915107D+01 -0.109972D+02  0.194297D+01
      4   0.262418D+02 -0.432672D+01  0.187294D+02 -0.159468D+02  0.223589D+01
      5   0.808823D-01  0.367944D+01  0.430808D+00  0.678743D+00 -0.276588D+01
      6   0.154244D+01 -0.723058D+01  0.151541D+01 -0.134883D+01  0.413089D+01
               151           152           153           154           155 
      1   0.207129D+01  0.118326D+01  0.118485D+00  0.579292D+02  0.171909D+02
      2   0.196067D+01 -0.495370D+01  0.160651D+01 -0.316997D+02 -0.988266D+01
      3  -0.403196D+01  0.377044D+01 -0.172499D+01 -0.262295D+02 -0.730826D+01
      4  -0.909515D+01  0.657126D+01 -0.487370D+01  0.116641D+02  0.129345D+02
      5   0.340437D+01 -0.209556D+01  0.150567D+01 -0.226352D+01 -0.132310D+01
      6  -0.455434D+01  0.448176D+01 -0.144514D+01  0.136866D+01  0.130874D+01
               156           157           158           159           160 
      1  -0.442277D+01  0.337091D+02  0.120903D+02 -0.220304D+01 -0.128940D+02
      2   0.151366D+01 -0.190494D+02 -0.538765D+01  0.792839D+00  0.754774D+01
      3   0.290911D+01 -0.146597D+02 -0.670261D+01  0.141020D+01  0.534623D+01
      4  -0.139523D+01  0.116903D+02  0.121551D+02 -0.243191D+01 -0.303247D+01
      5   0.873459D+01 -0.158661D+01 -0.251874D+01  0.516614D+01  0.734249D+01
      6  -0.352752D+00  0.105678D+01  0.631398D+00 -0.271576D+00  0.127341D-01
               161           162           163           164           165 
      1  -0.420249D+01  0.565484D+01 -0.625897D+00  0.421652D+01  0.115810D+01
      2   0.243526D+01 -0.372154D+01  0.246215D+01 -0.453155D+01 -0.104118D+01
      3   0.176723D+01 -0.193329D+01 -0.183626D+01  0.315029D+00 -0.116924D+00
      4  -0.356505D+01  0.171682D+01 -0.618904D+00  0.122882D+01  0.671569D+00
      5   0.234522D+01 -0.143872D+01  0.308118D+00 -0.337517D+00 -0.201199D+00
      6   0.766185D+00 -0.665629D+00  0.131835D+01 -0.802936D+00  0.186945D+00
               166           167           168           169           170 
      1   0.540360D+01 -0.277145D+02 -0.304492D+01  0.180434D+01 -0.731336D+01
      2  -0.136646D+00  0.475362D+02  0.548184D+01 -0.734944D+00  0.105058D+02
      3  -0.526695D+01 -0.198217D+02 -0.243692D+01 -0.106940D+01 -0.319240D+01
      4   0.921633D+01  0.296827D+02  0.291169D+01  0.174628D+01  0.685269D+01
      5   0.920181D-02  0.427516D+01  0.464436D+01  0.975120D+00  0.330866D+01
      6   0.168769D+00  0.571642D+01  0.672227D+01  0.570721D+00  0.662193D+01
               171           172           173           174           175 
      1  -0.320255D+01  0.875605D+02  0.408734D+01 -0.553895D+01  0.359467D+01
      2   0.438883D+01 -0.515899D+02 -0.111305D+01  0.748139D+01 -0.412299D+01
      3  -0.118628D+01 -0.359706D+02 -0.297429D+01 -0.194244D+01  0.528323D+00
      4   0.294513D+01 -0.406370D+01  0.162056D+02  0.300591D+01  0.262507D+02
      5   0.755460D+00 -0.124035D+02  0.134267D+01  0.169045D+02 -0.177090D+00
      6   0.240753D+01  0.361125D+01 -0.212398D+01  0.245217D+01 -0.142842D+01
               176           177           178           179           180 
      1   0.157717D+02  0.320946D+01 -0.235667D+02  0.492739D-01  0.701454D+01
      2  -0.232196D+01  0.128441D+01  0.144028D+02 -0.590944D+00 -0.138523D+02
      3  -0.134498D+02 -0.449386D+01  0.916390D+01  0.541670D+00  0.683772D+01
      4  -0.322909D+02 -0.455291D+01  0.134252D+01 -0.588741D+01 -0.130569D+01
      5  -0.514319D+01 -0.353900D+01  0.225899D+02  0.103368D+01 -0.777050D+01
      6   0.104295D+01  0.101425D+02 -0.233668D+01  0.516296D+01 -0.105332D+01
               181           182           183           184           185 
      1   0.388180D+01 -0.628988D+01 -0.327920D+01 -0.628873D+01 -0.209559D+02
      2   0.289335D+01  0.964041D+00  0.108149D+01 -0.473387D+01  0.502449D+02
      3  -0.677515D+01  0.532584D+01  0.219772D+01  0.110226D+02 -0.292890D+02
      4  -0.927077D+01  0.121591D+02  0.199618D+01  0.215631D+02 -0.558580D+02
      5  -0.294866D+01  0.702767D+00  0.312583D+01  0.613517D+00 -0.485876D+01
      6   0.211947D+01 -0.607117D+00 -0.127217D+01 -0.147257D+00  0.349628D+01
               186           187           188           189           190 
      1  -0.244873D+01 -0.581838D+01 -0.420858D+01 -0.423303D+01  0.103066D+01
      2   0.556843D+01  0.125650D+01  0.886599D+01  0.343576D+01 -0.431757D+01
      3  -0.311970D+01  0.456188D+01 -0.465740D+01  0.797267D+00  0.328692D+01
      4  -0.532384D+01  0.552030D+01 -0.112714D+02 -0.726881D+01  0.102428D+01
      5  -0.615676D+01  0.369292D+01 -0.730690D+01  0.815278D+00  0.580494D+01
      6   0.773754D+01 -0.206678D+01  0.836689D+01  0.223433D+01 -0.219799D+01
               191           192           193           194           195 
      1   0.136172D+01  0.790139D+01  0.561542D+01 -0.503557D+01  0.124304D+01
      2  -0.134175D+01 -0.379941D+01 -0.432345D+01  0.430905D+01 -0.228383D+01
      3  -0.199628D-01 -0.410198D+01 -0.129197D+01  0.726519D+00  0.104079D+01
      4   0.188792D+01 -0.241001D+01  0.139668D+01 -0.562092D+01  0.447038D+01
      5  -0.651127D+00  0.668801D+01 -0.209474D+00  0.477584D+01  0.267031D+01
      6  -0.915937D+00  0.941703D+00  0.256336D+00 -0.193676D+01  0.503345D+01
               196           197           198           199           200 
      1   0.105879D+02  0.484188D+01 -0.236306D+02  0.306077D+01  0.103962D+01
      2  -0.751787D+01 -0.253327D+01 -0.147536D+02 -0.168870D+01  0.959963D+00
      3  -0.307004D+01 -0.230862D+01  0.383843D+02 -0.137207D+01 -0.199958D+01
      4  -0.502037D+01  0.748743D+01 -0.795442D+01  0.533171D+01  0.355367D+01
      5   0.107441D+02 -0.801202D+01  0.517389D+02 -0.360516D+01 -0.165419D+01
      6  -0.262347D+01  0.100357D+02 -0.251801D+02 -0.304123D+01 -0.116900D+01
               201           202           203           204           205 
      1  -0.290207D+01  0.143852D+01 -0.283593D+01  0.116997D+01 -0.638148D+01
      2   0.133741D+01  0.207608D+00  0.425225D+01 -0.297807D+01  0.328107D+01
      3   0.156466D+01 -0.164613D+01 -0.141633D+01  0.180810D+01  0.310041D+01
      4  -0.374463D+01  0.259838D+01  0.393761D+01 -0.299082D+01 -0.120761D+02
      5   0.488581D+01 -0.796898D+00 -0.244928D+01  0.280950D+01  0.111818D+02
      6   0.309775D+01 -0.122386D+01 -0.304016D+01  0.421526D+01  0.924620D+01
               206           207           208           209           210 
      1   0.499841D+01 -0.517190D+01 -0.185985D+01  0.694957D+01  0.118891D+01
      2  -0.805761D+01 -0.370249D+01  0.284448D+01 -0.249193D+01 -0.321603D+00
      3   0.305920D+01  0.887438D+01 -0.984633D+00 -0.445764D+01 -0.867309D+00
      4  -0.136002D+02  0.128510D+02  0.741833D+01 -0.206569D+01 -0.394965D+00
      5   0.950425D+01 -0.314526D+02  0.521280D+00 -0.810108D+00  0.987888D+00
      6   0.121675D+02 -0.327362D+02 -0.240435D+00 -0.332507D+00  0.214911D+01
               211           212           213           214           215 
      1   0.316778D+02 -0.511435D+01 -0.187640D+01  0.204755D+01 -0.109663D+01
      2  -0.186789D+02  0.300404D+01  0.196179D+01 -0.114104D+01  0.626361D+00
      3  -0.129989D+02  0.211031D+01 -0.853891D-01 -0.906513D+00  0.470264D+00
      4  -0.584934D+01  0.405555D+02  0.341744D+00 -0.903723D+00  0.192798D+01
      5  -0.231153D+01  0.104478D+01  0.104536D+02  0.306548D+01  0.180247D+01
      6   0.107593D+01 -0.902887D+00 -0.272536D+01 -0.818745D-01  0.184559D+01
               216 
      1   0.131276D+01
      2  -0.105908D+01
      3  -0.253672D+00
      4   0.113121D+01
      5  -0.169977D+01
      6   0.276932D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.189367D+01      0.481323D+01      0.160552D+02
   x         -0.156801D+01     -0.398549D+01     -0.132942D+02
   y          0.679142D+00      0.172621D+01      0.575801D+01
   z          0.816142D+00      0.207442D+01      0.691954D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119635D+03      0.177281D+02      0.197252D+02
   aniso      0.201070D+02      0.297954D+01      0.331519D+01
   xx         0.130500D+03      0.193381D+02      0.215166D+02
   yx         0.210359D+01      0.311720D+00      0.346835D+00
   yy         0.120334D+03      0.178317D+02      0.198405D+02
   zx        -0.110465D+01     -0.163692D+00     -0.182132D+00
   zy        -0.172683D+01     -0.255890D+00     -0.284716D+00
   zz         0.108071D+03      0.160144D+02      0.178185D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114551D+03      0.169747D+02      0.188869D+02
   aniso      0.255290D+02      0.378301D+01      0.420917D+01
   xx         0.128272D+03      0.190079D+02      0.211492D+02
   yx         0.145677D+01      0.215871D+00      0.240189D+00
   yy         0.116073D+03      0.172003D+02      0.191379D+02
   zx        -0.692740D+00     -0.102653D+00     -0.114217D+00
   zy        -0.178095D+01     -0.263909D+00     -0.293638D+00
   zz         0.993077D+02      0.147159D+02      0.163736D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.44371026          1.96784477          1.65869274
     6         -1.27156801         -0.49781518          2.87341412
     6          1.47701317          1.46367566         -0.40995205
     6          0.44903672         -0.47826142         -2.28810458
     8         -0.21320724         -2.72832045         -0.96137314
     6         -2.15743786         -2.36530448          0.85152549
     8          0.70653631          3.63037366          3.43184305
     1         -2.10317343          2.87896207          0.81354230
     8         -3.23916123          0.08913851          4.60064271
     1          0.34747114         -1.33565463          3.86301181
     1          3.19818263          0.69561752          0.45044450
     8          2.05811958          3.72185250         -1.76404835
     6          2.37894135         -1.22613477         -4.29136474
     1         -1.22383986          0.30789055         -3.23060320
     8         -2.79848683         -4.70624234          1.87075796
     1         -3.86851736         -1.65322856         -0.07154406
     1         -0.52334986          4.02188174          4.72019522
     1         -3.72355592         -1.44065821          5.46724077
     1          2.66406923          4.95657344         -0.56492271
     8          2.86843851          0.76401340         -6.02556672
     1          1.62611328         -2.80779400         -5.37504958
     1          4.11806855         -1.85558424         -3.35592890
     1         -1.34031192         -5.39234557          2.73557864
     1          3.17728705          2.27377084         -5.03528220

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.189367D+01      0.481323D+01      0.160552D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.189367D+01      0.481323D+01      0.160552D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119635D+03      0.177281D+02      0.197252D+02
   aniso      0.201070D+02      0.297954D+01      0.331519D+01
   xx         0.113593D+03      0.168327D+02      0.187289D+02
   yx         0.467219D+01      0.692347D+00      0.770339D+00
   yy         0.121281D+03      0.179720D+02      0.199966D+02
   zx        -0.888726D+01     -0.131696D+01     -0.146531D+01
   zy        -0.216207D+01     -0.320385D+00     -0.356476D+00
   zz         0.124032D+03      0.183796D+02      0.204501D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114551D+03      0.169747D+02      0.188869D+02
   aniso      0.255290D+02      0.378301D+01      0.420917D+01
   xx         0.106993D+03      0.158547D+02      0.176408D+02
   yx         0.585142D+01      0.867091D+00      0.964769D+00
   yy         0.116258D+03      0.172277D+02      0.191684D+02
   zx        -0.115912D+02     -0.171764D+01     -0.191113D+01
   zy        -0.123137D+01     -0.182471D+00     -0.203026D+00
   zz         0.120402D+03      0.178417D+02      0.198515D+02

 ----------------------------------------------------------------------
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 THOSE WHO TRY TO PASS CHEMISTRY OFF AS A NEW SCIENCE
 SHOW HOW LITTLE KNOWLEDGE THEY HAVE OF THE CHARACTER
 AND LITERATURE OF THE ANCIENTS.
   -- NICOLAS LEFEVRE
 "COURS DE CHYMIE" J.-N.LELOUP, PARIS, 1751
 Job cpu time:       0 days  7 hours 16 minutes 10.8 seconds.
 Elapsed time:       0 days  0 hours 54 minutes 36.2 seconds.
 File lengths (MBytes):  RWF=    449 Int=      0 D2E=      0 Chk=     19 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 20:09:42 2022.
